2,4-Dimethoxy-omega-nitrostyrene

C₁₀H₁₁NO₄CAS 1891-10-7209.20 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-3-(2-nitrovinyl)benzene3179-09-763 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-062 % similar 3,4-Dimethoxy-B-nitrostyrene4230-93-757 % similar 2-Methoxy-4-((E)-2-nitrovinyl)phenol6178-42-356 % 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

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 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 2,5-Dimethoxy-beta-nitrostyrene40276-11-7 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1

Elsewhere

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