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Details

Stereochemistry RACEMIC
Molecular Formula C10H9NO2
Molecular Weight 175.1843
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1-CYANOETHYL)BENZOIC ACID

SMILES

CC(C#N)c1cccc(c1)C(=O)O

InChI

InChIKey=IRYIYPWRXROPSX-UHFFFAOYSA-N
InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H9NO2
Molecular Weight 175.1843
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 10:54:48 UTC 2021
Edited
by admin
on Sat Jun 26 10:54:48 UTC 2021
Record UNII
3PN2M0G40N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-CYANOETHYL)BENZOIC ACID
Systematic Name English
M-(1-CYANOETHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(1-CYANOETHYL)-
Systematic Name English
2-(3-CARBOXYPHENYL)PROPIONITRILE
Systematic Name English
NSC-113992
Code English
3-((1RS)-1-CYANOETHYL)BENZOIC ACID
Systematic Name English
DF-2107Y
Code English
(+/-)-3-(1-CYANOETHYL)BENZOIC ACID
Systematic Name English
KETOPROFEN IMPURITY G [EP]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-897-0
Created by admin on Sat Jun 26 10:54:48 UTC 2021 , Edited by admin on Sat Jun 26 10:54:48 UTC 2021
PRIMARY
PUBCHEM
98370
Created by admin on Sat Jun 26 10:54:48 UTC 2021 , Edited by admin on Sat Jun 26 10:54:48 UTC 2021
PRIMARY
CAS
5537-71-3
Created by admin on Sat Jun 26 10:54:48 UTC 2021 , Edited by admin on Sat Jun 26 10:54:48 UTC 2021
PRIMARY
FDA UNII
3PN2M0G40N
Created by admin on Sat Jun 26 10:54:48 UTC 2021 , Edited by admin on Sat Jun 26 10:54:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP