chempirical

3-Acetyl-2(3H)-benzoxazolone

C9H7NO3CAS 24963-28-8177.16 g/mol

Open in Covalent MOL file
ONOO

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
95 °C
logP
1.25Crippen estimate
Polar surface area
52.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
24963-28-8
SMILES
CC(=O)n1c(=O)oc2ccccc21
InChIKey
KIIQPJPWSJBTGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2(3H)-Benzoxazolone, 3-acetyl-
  • 2-Benzoxazolinone, 3-acetyl-
  • 3-Acetyl-2-benzoxazolinone
  • 3-Acetyl-3H-benzooxazol-2-one
  • 3-Acetyl-1,3-benzoxazol-2-one
  • 3-Acetylbenzo[d]oxazol-2(3H)-one
  • 3-Acetyl-2,3-dihydro-1,3-benzoxazol-2-one

Work with 3-Acetyl-2(3H)-benzoxazolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylbenzo[D]oxazol-2(3H)-one21892-80-857 % similar 1-(1H-Indol-1-yl)ethanone576-15-840 % similar 1-(3-Hydroxy-1H-indol-1-yl)ethanone33025-60-436 % similar 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-336 % similar 1-Acetylindole-3-carboxaldehyde22948-94-336 % similar 3-Acetylcoumarin3949-36-833 % similar 2-Acetylbenzofuran1646-26-033 % similar 1H-[1,2,4]Oxadiazolo[4,3-A]quinoxalin-1-one41443-28-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 5-Carboxyoxindole102359-00-2 N-Methylisatoic anhydride10328-92-4 5-Nitro-2-indanone116530-60-0 N-(Hydroxymethyl)phthalimide118-29-6 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1

Elsewhere

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