chempirical

6-Nitroindanone

C9H7NO3CAS 24623-24-3177.16 g/mol

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KetoneNitro

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
71–73 °C
logP
1.72Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
24623-24-3
SMILES
O=C1CCc2ccc([N+](=O)[O-])cc21
InChIKey
MLRACZPAMDFORH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2

Weigh it out

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

Names and synonyms

7 names
  • 1H-Inden-1-one, 2,3-dihydro-6-nitro-
  • 1-Indanone, 6-nitro-
  • 2,3-Dihydro-6-nitro-1H-inden-1-one
  • 6-Nitroindan-1-one
  • 1-Oxo-6-nitroindane
  • NSC 225094
  • 6-Nitro-2,3-dihydro-1H-inden-1-one

Work with 6-Nitroindanone

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

7-Nitro-1-tetralone40353-34-283 % similar 6-Nitro-isoindolin-1-one110568-64-455 % similar 6-Nitrophthalide610-93-555 % similar 2,7-Dinitro-9-fluorenone31551-45-851 % similar 6-Hydroxyindan-1-one62803-47-851 % similar 4-Nitro-1-indanone24623-25-449 % similar 4-Nitrophthalic anhydride5466-84-249 % similar 4-Nitrophthalic acid610-27-549 % 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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