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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO2
Molecular Weight 161.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-CYANOBENZOATE

SMILES

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

InChI

InChIKey=KKZMIDYKRKGJHG-UHFFFAOYSA-N
InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C9H7NO2
Molecular Weight 161.1574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Influence of solvent, electron acceptors and arenes on photochemical decarboxylation of free carboxylic acids via single electron transfer (SET).
2010-04-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:46:15 GMT 2025
Edited
by admin
on Mon Mar 31 21:46:15 GMT 2025
Record UNII
F8FMS7O8XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, P-CYANO-, METHYL ESTER
Preferred Name English
METHYL 4-CYANOBENZOATE
Systematic Name English
4-(METHOXYCARBONYL)BENZONITRILE
Systematic Name English
P-CYANOBENZOIC ACID METHYL ESTER
Common Name English
4-CYANOBENZOIC ACID METHYL ESTER
Systematic Name English
BENZOIC ACID, 4-CYANO-, METHYL ESTER
Systematic Name English
METHYL P-CYANOBENZOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID9022150
Created by admin on Mon Mar 31 21:46:15 GMT 2025 , Edited by admin on Mon Mar 31 21:46:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-443-4
Created by admin on Mon Mar 31 21:46:15 GMT 2025 , Edited by admin on Mon Mar 31 21:46:15 GMT 2025
PRIMARY
CAS
1129-35-7
Created by admin on Mon Mar 31 21:46:15 GMT 2025 , Edited by admin on Mon Mar 31 21:46:15 GMT 2025
PRIMARY
FDA UNII
F8FMS7O8XG
Created by admin on Mon Mar 31 21:46:15 GMT 2025 , Edited by admin on Mon Mar 31 21:46:15 GMT 2025
PRIMARY
PUBCHEM
70791
Created by admin on Mon Mar 31 21:46:15 GMT 2025 , Edited by admin on Mon Mar 31 21:46:15 GMT 2025
PRIMARY