CAS Registry Number: 90536-66-6

Name:

Benzeneacetic acid, 4-​(methylsulfonyl)​-
Acetic acid, [p-​(methylsulfonyl)​phenyl]​- (7CI); (4-​Methanesulfonylpheny​l)​acetic acid; 2-​[4-​(Methylsulfonyl)​phenyl]​acetic acid; 4-​(Methylsulfonyl)​benzeneacetic acid; 4-​(Methylsulfonyl)​phenylacetic acid; 4-​Mesylphenylacetic acid 

Chemical Formula: C9H10O4S
Exact Mass: 214.03
Molecular Weight: 214.24
m/z: 214.03 (100.0%), 215.03 (10.7%), 216.03 (5.4%)

InChI: InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: HGGWOSYNRVOQJH-UHFFFAOYSA-N
Canonical SMILES : CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) Dohmori, Renzo; Chemical & Pharmaceutical Bulletin 1964, V12(5), P59l-4 CAPLUS
3. (3) Forrest, H. S.; Journal of the Chemical Society 1948, P1501-6 CAPLUS
4. (4) Mao, Jin-Long; Bioorganic & Medicinal Chemistry Letters 2011, V21(5), P1549-1553 CAPLUS