2-methanesulfonylbenzoic acid

2-methanesulfonylbenzoic acid

CAS: 33963-55-2

Formula: C8H8O4S

SMILES: CS(=O)(=O)C1=C(C=CC=C1)C(O)=O

IUPAC: 2-methanesulfonylbenzoic acid

InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

Composition: C (47.99%), H (4.03%), O (31.96%), S (16.01%)

Molar Mass: 200.21

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.014329912
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BZSXEZOLBIJVQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.32
Topological Polar Surface Area	71.44
Polarizability	18.72
Ring Count	1
Rotatable Bond Count	2

Suppliers

Life Chemicals USA, Inc.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	33963-55-2		$17.82-$143.55$17.82$18.81$20.79$41.58$74.25$143.55

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	33963-55-2		$51.35-$258.92$51.35$63.37$81.94$86.31$123.45$258.92