2-Methoxy-β-nitrostyrene

C9H9NO3CAS 3316-24-3179.17 g/mol

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ON+OO−
AlkeneEtherNitro

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
47–47.5 °C
logP
1.94Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3316-24-3
SMILES
COc1ccccc1C=C[N+](=O)[O-]
InChIKey
FVKSRNVYJXQCLK-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3

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Names and synonyms

10 names
  • Benzene, 1-methoxy-2-(2-nitroethenyl)-
  • Anisole, o-(2-nitrovinyl)-
  • 1-Methoxy-2-(2-nitroethenyl)benzene
  • o-Methoxy-β-nitrostyrene
  • 2-(2-Nitrovinyl)anisole
  • NSC 170699
  • NSC 59450
  • 1-Methoxy-2-(2-nitrovinyl)benzene
  • 1-Nitro-2-(2-methoxyphenyl)ethylene
  • 1-(2-Methoxyphenyl)-2-nitroethene

Work with 2-Methoxy-β-nitrostyrene

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

2,4-Dimethoxy-omega-nitrostyrene1891-10-767 % similar 2,5-Dimethoxy-beta-nitrostyrene40276-11-767 % similar 3,4-Dimethoxy-B-nitrostyrene4230-93-757 % similar 1-(2-Chlorophenyl)-2-nitroethylene3156-34-157 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-054 % similar 2-Methoxycinnamaldehyde1504-74-153 % similar 2-Methoxy-4-((E)-2-nitrovinyl)phenol6178-42-352 % similar (1E,4E)-1,5-Bis(2-methoxyphenyl)penta-1,4-dien-3-one39777-61-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7

Elsewhere

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