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Details

Stereochemistry RACEMIC
Molecular Formula C10H10O4
Molecular Weight 194.184
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1-CARBOXYETHYL)BENZOIC ACID, (±)-

SMILES

CC(C(O)=O)C1=CC(=CC=C1)C(O)=O

InChI

InChIKey=RIXOZEBXQQUHQW-UHFFFAOYSA-N
InChI=1S/C10H10O4/c1-6(9(11)12)7-3-2-4-8(5-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H10O4
Molecular Weight 194.184
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:53:09 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:09 GMT 2023
Record UNII
U76LP2N35E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-CARBOXYETHYL)BENZOIC ACID, (±)-
Common Name English
3-((1RS)-1-CARBOXYETHYL)BENZOIC ACID
Systematic Name English
DF-2008Y
Common Name English
KETOPROFEN RELATED COMPOUND C
USP   USP-RC   USP-RS  
Common Name English
BENZENEACETIC ACID, 3-CARBOXY-.ALPHA.-METHYL-
Common Name English
KETOPROFEN RELATED COMPOUND C [USP IMPURITY]
Common Name English
3-(1-CARBOXYETHYL)BENZOIC ACID, (RS)-
Common Name English
KETOPROFEN RELATED COMPOUND C [USP-RS]
Common Name English
KETOPROFEN IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
U76LP2N35E
Created by admin on Sat Dec 16 10:53:09 GMT 2023 , Edited by admin on Sat Dec 16 10:53:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID701290417
Created by admin on Sat Dec 16 10:53:09 GMT 2023 , Edited by admin on Sat Dec 16 10:53:09 GMT 2023
PRIMARY
RS_ITEM_NUM
1356552
Created by admin on Sat Dec 16 10:53:09 GMT 2023 , Edited by admin on Sat Dec 16 10:53:09 GMT 2023
PRIMARY
PUBCHEM
44398682
Created by admin on Sat Dec 16 10:53:09 GMT 2023 , Edited by admin on Sat Dec 16 10:53:09 GMT 2023
PRIMARY
CAS
68432-95-1
Created by admin on Sat Dec 16 10:53:09 GMT 2023 , Edited by admin on Sat Dec 16 10:53:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY