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Ethyl 2-cyanoacetoacetate

UUID 3b2918d5-b776-4d82-8cb3-94407d81666f
Deprecated yes
Replaced By 0becc699-6f8f-4c3a-95f5-32675b6332d2
Flow Object IDfo-2ae6ba54fcdf81ff
Source EF 3.1
Context Environmental → Water → Unknown
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 3b2918d5-b776-4d82-8cb3-94407d81666f ethyl 2-cyano-3-oxobutanoate

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

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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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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