(4,5-Dimethoxy-2-nitro-phenyl)-acetic acid

C₁₀H₁₁NO₆CAS 73357-18-3241.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Nitro

Properties

Molecular formula: C₁₀H₁₁NO₆
Molar mass: 241.20 g/mol
Exact mass: 241.0586 Da
logP: 1.24Crippen estimate
Polar surface area: 98.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed90.5% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

73357-18-3

SMILES

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

InChIKey

WJPMJFUEMVXUCV-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO6/c1-16-8-3-6(4-10(12)13)7(11(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3,(H,12,13)

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Names and synonyms

1 names

4,5-Dimethoxy-2-nitrophenylacetic acid

Work with (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid

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

4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-664 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-758 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-658 % similar 2,4-Dinitrophenylacetic acid643-43-658 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-557 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-555 % similar 2-(5-Fluoro-2-nitrophenyl)acetic acid29640-98-055 % similar (2-Nitrophenyl)acetic acid3740-52-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-5

Elsewhere

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