chempirical

4-Nitro-1-indanone

C9H7NO3CAS 24623-25-4177.16 g/mol

Open in Covalent MOL file
ON+OO−
KetoneNitro

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
104–105 °C
logP
1.72Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
24623-25-4
SMILES
O=C1CCc2c1cccc2[N+](=O)[O-]
InChIKey
QIIWEVWPOBNGLP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2

Weigh it out

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

Names and synonyms

6 names
  • 1H-Inden-1-one, 2,3-dihydro-4-nitro-
  • 1-Indanone, 4-nitro-
  • 2,3-Dihydro-4-nitro-1H-inden-1-one
  • 4-Nitroindanone
  • NSC 225091
  • 4-Nitro-2,3-dihydro-1H-inden-1-one

Work with 4-Nitro-1-indanone

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

4-Chloroindan-1-one15115-59-053 % similar 4-Bromo-1-indanone15115-60-353 % similar 1,5-Dinitro-9,10-anthracenedione82-35-951 % similar 1,8-Dinitro-9,10-anthracenedione129-39-550 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-350 % similar 6-Nitroindanone24623-24-349 % similar 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester98475-07-148 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-748 % 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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