chempirical

2-Nitrocinnamaldehyde

C9H7NO3CAS 1466-88-2177.16 g/mol

Open in Covalent MOL file
ON+OO−
AldehydeAlkeneNitro

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
127 °C
logP
1.81Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1466-88-2
SMILES
O=CC=Cc1ccccc1[N+](=O)[O-]
InChIKey
VMSMELHEXDVEDE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H

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Names and synonyms

7 names
  • 2-Propenal, 3-(2-nitrophenyl)-
  • Cinnamaldehyde, o-nitro-
  • 3-(2-Nitrophenyl)-2-propenal
  • o-Nitrocinnamaldehyde
  • NSC 28458
  • 2-Nitrocinnamic aldehyde
  • 3-(2-Nitrophenyl)propenal

Reactions

Work with 2-Nitrocinnamaldehyde

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-(2-Nitrophenyl)-2-propenoic acid612-41-955 % similar 1,2-Dinitrobenzene528-29-053 % similar 2-Nitrobenzaldehyde oxime6635-41-253 % similar 3-(5-Nitro-2-furyl)acrolein1874-22-248 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-448 % similar 2-Nitrobiphenyl86-00-047 % similar 1-Bromo-2-nitrobenzene577-19-546 % similar Bis(2-nitrophenyl) disulfide1155-00-644 % 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 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1 6-Nitroindanone24623-24-3

Elsewhere

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