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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 Apr 12
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:44 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:44 GMT 2023
Record UNII
F8FMS7O8XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-CYANOBENZOATE
Systematic Name English
4-(METHOXYCARBONYL)BENZONITRILE
Systematic Name English
BENZOIC ACID, P-CYANO-, METHYL ESTER
Common 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 Sat Dec 16 07:55:44 GMT 2023 , Edited by admin on Sat Dec 16 07:55:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-443-4
Created by admin on Sat Dec 16 07:55:44 GMT 2023 , Edited by admin on Sat Dec 16 07:55:44 GMT 2023
PRIMARY
CAS
1129-35-7
Created by admin on Sat Dec 16 07:55:44 GMT 2023 , Edited by admin on Sat Dec 16 07:55:44 GMT 2023
PRIMARY
FDA UNII
F8FMS7O8XG
Created by admin on Sat Dec 16 07:55:44 GMT 2023 , Edited by admin on Sat Dec 16 07:55:44 GMT 2023
PRIMARY
PUBCHEM
70791
Created by admin on Sat Dec 16 07:55:44 GMT 2023 , Edited by admin on Sat Dec 16 07:55:44 GMT 2023
PRIMARY