4,5-Dimethoxy-2-nitrobenzenemethanol

C₉H₁₁NO₅CAS 1016-58-6213.19 g/mol

Open in Covalent MOL file

Alcohol Nitro Tertiary Amine

Properties

Molecular formula: C₉H₁₁NO₅
Molar mass: 213.19 g/mol
Exact mass: 213.0637 Da
Melting point: 145–146 °C
logP: 1.10Crippen estimate
Polar surface area: 81.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

1016-58-6

SMILES

COc1cc(CO)c([N+](=O)[O-])cc1OC

InChIKey

WBSCOJBVYHQOFB-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3

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Names and synonyms

7 names

Benzenemethanol, 4,5-dimethoxy-2-nitro-
Veratryl alcohol, 6-nitro-
6-Nitroveratryl alcohol
2-Nitro-4,5-dimethoxybenzyl alcohol
4,5-Dimethoxy-2-nitrobenzyl alcohol
1-(Hydroxymethyl)-4,5-dimethoxy-2-nitrobenzene
(4,5-Dimethoxy-2-nitrophenyl)methanol

Work with 4,5-Dimethoxy-2-nitrobenzenemethanol

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

Same formula

1-(4-Nitrophenyl)-1,2,3-propanetriol2207-68-3 Droxidopa23651-95-8

Elsewhere

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