3-(benzenesulfonyl)propan-1-ol

3-(benzenesulfonyl)propan-1-ol

CAS: 25062-90-2

Formula: C9H12O3S

SMILES: OCCCS(=O)(=O)C1=CC=CC=C1

IUPAC: 3-(benzenesulfonyl)propan-1-ol

InChI: InChI=1S/C9H12O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

Composition: C (53.98%), H (6.04%), O (23.97%), S (16.01%)

Molar Mass: 200.25

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.05071542
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VUGYEHRXNLUETF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.14
Topological Polar Surface Area	54.37
Polarizability	20.62
Ring Count	1
Rotatable Bond Count	4

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