1-Methoxy-4-(2-nitroethenyl)benzene

C9H9NO3CAS 3179-10-0179.17 g/mol

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AlkeneEtherNitro

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
86–87 °C
logP
1.94Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
3179-10-0
SMILES
COc1ccc(C=C[N+](=O)[O-])cc1
InChIKey
JKQUXSHVQGBODD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3

Weigh it out

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Names and synonyms

15 names · show all
  • Benzene, 1-methoxy-4-(2-nitroethenyl)-
  • Anisole, p-(2-nitrovinyl)-
  • p-Methoxy-β-nitrostyrene
  • p-(2-Nitrovinyl)anisole
  • 4-Methoxy-ω-nitrostyrene
  • 4-(2-Nitrovinyl)anisole
  • 4-Methoxy-β-nitrostyrene
  • 1-(4-Methoxyphenyl)-2-nitroethene
  • 2-(4-Methoxyphenyl)-1-nitroethene
  • 1-Methoxy-4-(2-nitrovinyl)benzene
  • NSC 23856
  • 2-(4-Methoxyphenyl)nitroethylene
  • Chembridge 5102117
  • 1-Nitro-2-(4-methoxyphenyl)ethene
  • β-Nitro-4-methoxystyrene

Work with 1-Methoxy-4-(2-nitroethenyl)benzene

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

3,4-Dimethoxy-B-nitrostyrene4230-93-765 % similar trans-4-Methyl-beta-nitrostyrene5153-68-462 % similar 2,4-Dimethoxy-omega-nitrostyrene1891-10-762 % similar 2,5-Dimethoxy-beta-nitrostyrene40276-11-762 % similar 2-Methoxy-4-((E)-2-nitrovinyl)phenol6178-42-359 % similar β-Nitrostyrene102-96-558 % similar 4-Hydroxy-B-nitrostyrene3179-08-657 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-057 % 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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