1-cyanoprop-2-en-1-yl Acetate

1-Cyano-2-propen-1-yl acetate
1-Cyano-2-propenyl acetate
1-Cyanoallyl acetate
2-(Acetyloxy)-3-butenenitrile
2-Acetoxy-3-butenenitrile
3-Butenenitrile, 2-(acetyloxy)-
3-Butenenitrile, 2-hydroxy-, acetate
3-Butenenitrile, 2-hydroxy-, acetate (ester)
Acrolein cyanohydrin acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MEHLEOUIWVWVBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3
IUPAC name chemrof:IUPAC_name	1-cyanoprop-2-en-1-yl Acetate
Molecular formula chemrof:molecular_formula	C6H7NO2
Molecular mass chemrof:molecular_mass	125.127
Monoisotopic mass chemrof:monoisotopic_mass	125.047678
SMILES string chemrof:smiles_string	C=CC(C#N)OC(C)=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=15667-63-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.036.115	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID801015438	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46585	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2271401	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6EJW8B6WEY	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J248.727F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/85891	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126616021	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
fc689194-ac68-4289-9aa8-85bb79843277	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6540ada4-a5d4-48e9-9248-c763ac4cb962	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
da812ff2-aaf9-4173-8f4b-93cec97b15f6	Environmental → Air → Indoor	EF 3.1	kg	2
20d3021c-81b2-4270-a370-89420a141371	Environmental → Air → Long-term	EF 3.1	kg	0
ae246a3e-e546-4a9d-a06c-969bdb20f869	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
37fff526-0df0-4183-aaa6-9cd79fdfa2b6	Environmental → Air → Unknown	EF 3.1	kg	2
28e62dd8-f87e-456b-9979-f84f4d48429d	Environmental → Ground → Agricultural	EF 3.1	kg	2
83004abe-c814-481f-8c7d-c3144b1e8915	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
cca6a0bf-4a13-47e0-956c-f6aa23445a77	Environmental → Ground → Unknown	EF 3.1	kg	2
3ab3467f-da2f-42dc-8290-963f02ffb4d0	Environmental → Water → Long-term	EF 3.1	kg	0
1323375f-7424-4d65-a559-1c2a4a30d9fe	Environmental → Water → Ocean	EF 3.1	kg	2
d2c06161-61ae-4c9e-a992-afecfcdbfe62	Environmental → Water → Surface water	EF 3.1	kg	2
083e5f64-5f70-4130-aaa1-e4a9136e9261	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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}

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1-cyanoprop-2-en-1-yl Acetate

Identity

Structure

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