chempirical

1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene

C11H13NO4CAS 122-47-4223.23 g/mol

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ON+OO−O
AlkeneEtherNitro

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
73 °C
logP
2.34Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
122-47-4
SMILES
COc1ccc(C=C(C)[N+](=O)[O-])cc1OC
InChIKey
JGFBGRHDJMANRR-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3

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Names and synonyms

10 names
  • Benzene, 1,2-dimethoxy-4-(2-nitro-1-propen-1-yl)-
  • Benzene, 1,2-dimethoxy-4-(2-nitropropenyl)-
  • Benzene, 1,2-dimethoxy-4-(2-nitro-1-propenyl)-
  • 1,2-Dimethoxy-4-(2-nitropropenyl)benzene
  • NSC 105317
  • NSC 12113
  • NSC 243016
  • NSC 54548
  • 1,2-Dimethoxy-4-(2-nitroprop-1-enyl)benzene
  • 3,4-Dimethoxy-β-methyl-β-nitrostyrene

Work with 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)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

Phenyl-2-nitropropene705-60-256 % similar Methylisoeugenol93-16-344 % similar 3,4-Dimethoxycinnamic acid14737-89-443 % similar 3′,4′-Dimethoxycinnamic acid2316-26-943 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-742 % similar Acetovanillin881-68-542 % similar Acetylisoeugenol93-29-841 % similar 2-Methoxy-5-nitroaniline hydrochloride67827-72-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1 N-Acetyl-dl-tyrosine2901-77-1

Elsewhere

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