3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID

CAS No.
7028-79-7
CCD No.
CCD00051923
Formula
C11 H12 O5 S
MolWeight
256.277

Basic Information

Product Name: 3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID
CAS: 7028-79-7
English Synonyms: 3-(4-METHYLSULFONYLBENZOYL)PROPIONIC ACID ; 4-(4-(METHYLSULFONYL)PHENYL)-4-OXOBUTANOIC ACID ; 3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID
MDL Number.: MFCD00082738
H bond acceptor: 5
H bond donor: 1
Smile: CS(=O)(=O)c1ccc(cc1)C(=O)CCC(=O)O
InChi: InChI=1S/C11H12O5S/c1-17(15,16)9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChiKey: InChIKey=LOIRMIGGBFNYOZ-UHFFFAOYSA-N

Property

Melting Point: 168-172 DEG C
Comments: BRN: 2134110
HAZARD: R 36/37/38
HAZARD: S 26-37
IRRITANT

Safety information

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