Ethyl 2-cyanoacetoacetate

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UUID 085aab3a-cfd2-4415-8380-778a46f219a2

Flow Object ID fo-2ae6ba54fcdf81ff

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 634-55-9

EC Numbers 700-172-3

prefLabel

Language	Value	Provenance
`en`	`Ethyl 2-cyanoacetoacetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-cyanoacetoacetic acid ethyl ester`
`en`	`Ethyl alpha-cyanoacetoacetate`
`en`	`Acetoacetic acid, 2-cyano-, ethyl ester`
`en`	`Butanoic acid, 2-cyano-3-oxo-, ethyl ester`
`en`	`Ethyl α-cyanoacetoacetate`
`en`	`Ethyl 2-cyano-3-oxobutanoate`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`NWOKVFOTWMZMHL-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3`
IUPAC name	`2-cyano-3-keto-butyric acid ethyl ester, 2-cyano-3-oxobutanoic acid ethyl ester, ethyl 2-cyano-3-oxidanylidene-butanoate, ethyl 2-cyano-3-oxo-butanoate, ethyl 2-cyano-3-oxobutanoate`
Molecular formula	`C7H9NO3`
Molecular mass	`155.153`
Monoisotopic mass	`155.05824`
SMILES	`CCOC(=O)C(C#N)C(=O)C, CCOC(=O)C(C#N)C(C)=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`085aab3a-cfd2-4415-8380-778a46f219a2`	ethyl 2-cyano-3-oxobutanoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	ethyl 2-cyano-3-oxobutanoate	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=ethyl2-cyano-3-oxobutanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=634-55-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, 2-cyano-, ethyl ester, Butanoic acid, 2-cyano-3-oxo-, ethyl ester, Ethyl α-cyanoacetoacetate; object_uuid=fo-2ae6ba54fcdf81ff
`cas_match_labels`	1	`—`	consensus_match	group_key=ethyl2-cyano-3-oxobutanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'634-55-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ae6ba54fcdf81ff: {'634-55-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '2-cyanoacetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-cyanoacetoacetic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_51924', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl alpha-cyanoacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl alpha-cyanoacetoacetate', 'http://purl.obolibrary.org/obo/CHEBI_51924', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '2-cyanoacetoacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-cyanoacetoacetic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_51924', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl alpha-cyanoacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl alpha-cyanoacetoacetate', 'http://purl.obolibrary.org/obo/CHEBI_51924', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetoacetic acid, 2-cyano-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:634-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=634-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 2-cyano-3-oxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:634-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=634-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-cyanoacetoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:634-55-9', 'https://commonchemistry.cas.org/detail?cas_rn=634-55-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=ethyl2-cyano-3-oxobutanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=634-55-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, 2-cyano-, ethyl ester, Butanoic acid, 2-cyano-3-oxo-, ethyl ester, Ethyl α-cyanoacetoacetate; object_uuid=fo-2ae6ba54fcdf81ff
`cas_match_labels`	`None`	`{'634-55-9': 'exactMatch'}`	group_key=ethyl2-cyano-3-oxobutanoate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'634-55-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ae6ba54fcdf81ff: {'634-55-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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