3-(Benzenesulfonyl)but-3-en-2-one

HCID 643267

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Basic information

CAS: 20032-39-7
Standard SMILES: C=C(C(C)=O)S(=O)(=O)c1ccccc1
InChIKey: UZLDZUAFRWISPY-UHFFFAOYSA-N
Molecular formula: C10H10O3S
Average molar mass: 210.25 g/mol
Monoisotopic mass: 210.03506535

Names & identifiers

Preferred name: 3-(Benzenesulfonyl)but-3-en-2-one
IUPAC: 3-(benzenesulfonyl)but-3-en-2-one

Names & synonyms

20032-39-73-(benzenesulfonyl)but-3-en-2-one3-(phenylsulfonyl)but-3-en-2-one3-phenylsulfonylbut-3-en-2-oneDTXSID703491353-(benzenesulfonyl)-but-3-en-2-one3-buten-2-one, 3-(phenylsulfonyl)-InChI=1/C10H10O3S/c1-8(11)9(2)14(12,13)10-6-4-3-5-7-10/h3-7H,2H2,1H

Database identifiers

CAS: 20032-39-7
PubChem CID: 643267
DTXSID: DTXSID70349135

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 59.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 329

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