2,5-Dimethoxy-beta-nitrostyrene

C₁₀H₁₁NO₄CAS 40276-11-7209.20 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

40276-11-7

SMILES

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

InChIKey

IRRZIWHEPWPPJF-AATRIKPKSA-N

InChI

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

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Names and synonyms

1 names

1,4-Dimethoxy-2-[(E)-2-nitroethenyl]benzene

Work with 2,5-Dimethoxy-beta-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-3-(2-nitrovinyl)benzene3179-09-763 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-062 % similar 3,4-Dimethoxy-B-nitrostyrene4230-93-761 % similar 2,5-Dimethoxybenzaldehyde93-02-755 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-951 % similar 2',5'-Dimethoxycinnamic acid161282-95-751 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-450 % 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 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1

Elsewhere

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