2-Methoxy-4-((E)-2-nitrovinyl)phenol

C9H9NO4CAS 6178-42-3195.17 g/mol

Open in Covalent MOL file
ON+OO−OH
AlkeneEtherNitroPhenol

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
logP
1.65Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
6178-42-3
SMILES
COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O
InChIKey
XVXCSPJSXIUNQJ-SNAWJCMRSA-N
InChI
InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+

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Names and synonyms

1 names
  • 1-(4-Hydroxy-3-methoxyphenyl)-2-nitroethene

Work with 2-Methoxy-4-((E)-2-nitrovinyl)phenol

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-nitrostyrene4230-93-774 % similar Isoeugenol97-54-160 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-059 % similar Coniferyl aldehyde458-36-658 % similar trans-3-Benzyloxy-4-methoxy-beta-nitrostyrene63909-29-558 % similar 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-658 % similar 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-757 % similar Vanillin121-33-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5

Elsewhere

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