3-(benzenesulfonyl)propanoic acid

3-(benzenesulfonyl)propanoic acid

CAS: 10154-71-9

Formula: C9H10O4S

SMILES: OC(=O)CCS(=O)(=O)C1=CC=CC=C1

IUPAC: 3-(benzenesulfonyl)propanoic acid

InChI: InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

Composition: C (50.46%), H (4.71%), O (29.87%), S (14.96%)

Molar Mass: 214.24

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.029979976
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WGTYYNCSWCKXAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.76
Topological Polar Surface Area	71.44
Polarizability	20.57
Ring Count	1
Rotatable Bond Count	4

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