2,4-Dimethoxy-omega-nitrostyrene

C₁₀H₁₁NO₄CAS 1891-10-7209.20 g/mol

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Alkene Ether Nitro

Properties

Molecular formula: C₁₀H₁₁NO₄
Molar mass: 209.20 g/mol
Exact mass: 209.0688 Da
logP: 1.95Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

1891-10-7

SMILES

COC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])OC

InChIKey

NUMXHEUHHRTBQT-AATRIKPKSA-N

InChI

InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+

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Names and synonyms

1 names

Benzene, 2,4-dimethoxy-1-(2-nitroethenyl)-

Work with 2,4-Dimethoxy-omega-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-Methoxy-β-nitrostyrene3316-24-367 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-062 % similar 2,4-Dimethoxybenzaldehyde613-45-654 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-451 % similar 2,4-Dimethoxycinnamic acid6972-61-851 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-750 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-447 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-046 % similar

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

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-5 Dimethyl 3-aminoterephthalate5372-81-6

Elsewhere

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