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Details

Stereochemistry RACEMIC
Molecular Formula C10H9NO2
Molecular Weight 175.184
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)C1=CC(=CC=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

Approval Year

Patents
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 IMPURITY]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-897-0
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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NSC
113992
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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PUBCHEM
98370
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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CAS
5537-71-3
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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EPA CompTox
DTXSID60863557
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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FDA UNII
3PN2M0G40N
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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CHEBI
85131
Created by admin on Sat Dec 16 09:59:51 GMT 2023 , Edited by admin on Sat Dec 16 09:59:51 GMT 2023
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