6-Acetyl-3-methyl-3H-benzoxazol-2-one

HCID 41231

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Basic information

CAS: 54903-61-6
Standard SMILES: CC(=O)c1ccc2c(c1)oc(=O)n2C
InChIKey: SZALAYSSIMHXRU-UHFFFAOYSA-N
Molecular formula: C10H9NO3
Average molar mass: 191.18 g/mol
Monoisotopic mass: 191.05824315

Names & identifiers

Preferred name: 6-Acetyl-3-methyl-3H-benzoxazol-2-one
IUPAC: 6-acetyl-3-methyl-1,3-benzoxazol-2-one
English name: 6-Acetyl-3-methylbenzoxazol-2(3H)-one
Molecular formula: C10H9NO3
Molecular weight: 191.18

Names & synonyms

54903-61-62(3H)-Benzoxazolone, 6-acetyl-3-methyl-DTXSID10203424RefChem:1073764DTXCID101259156-Acetyl-3-methyl-3H-benzoxazol-2-oneBRN 10758136-Acetyl-3-methyl-2(3H)-benzoxazoloneAcetyl-6 methyl-3 benzoxazolinone [French]Acetyl-6 methyl-3 benzoxazolinone6-Acetyl-3-methylbenzoxazol-2(3H)-oneSCHEMBL5171751

Show more names

NIOSH/DM4915000NIOSH/DM52761206-acetyl-3-methylbenzoxazolinoneSZALAYSSIMHXRU-UHFFFAOYSA-N6-Acetyl-3-methyl-2-benzoxazolinoneAKOS0115583526-acetyl-3-methyl-3H-benzoxazole-2-oneDB-368968

Database identifiers

CAS: 54903-61-6
PubChem CID: 41231
DTXSID: DTXSID10203424
Nikkaji: J67.931C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 277

Chemistry & industry

Upstream & downstream products

Downstream products

6-Benzoxazolecarboxylic acid, 2,3-dihydro-3-methyl-2-oxo-

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