U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ALPHA-CYANO-1-CYCLOHEXENE-1-ACETATE

SMILES

COC(=O)C(C#N)C1=CCCCC1

InChI

InChIKey=PZHBBPQFEOOLQL-UHFFFAOYSA-N
InChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h5,9H,2-4,6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
METHYL ALPHA-CYANO-1-CYCLOHEXENE-1-ACETATE
Systematic Name English
1-CYCLOHEXENE-1-ACETIC ACID, .ALPHA.-CYANO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
SS7WA2J9ZQ
Created by admin on Sat Dec 16 17:16:40 GMT 2023 , Edited by admin on Sat Dec 16 17:16:40 GMT 2023
PRIMARY
PUBCHEM
4051647
Created by admin on Sat Dec 16 17:16:40 GMT 2023 , Edited by admin on Sat Dec 16 17:16:40 GMT 2023
PRIMARY
CAS
80632-53-7
Created by admin on Sat Dec 16 17:16:40 GMT 2023 , Edited by admin on Sat Dec 16 17:16:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID101001353
Created by admin on Sat Dec 16 17:16:40 GMT 2023 , Edited by admin on Sat Dec 16 17:16:40 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966