3,5-Dinitro-4-hydroxyphenylacetic acid

C8H6N2O7CAS 10463-37-3242.14 g/mol

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N+OO−HON+OO−OOH
Carboxylic acidNitroPhenol

Properties

Molecular formula
C8H6N2O7
Molar mass
242.14 g/mol
Exact mass
242.0175 Da
logP
0.84Crippen estimate
Polar surface area
143.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
10463-37-3
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O
InChIKey
MLVYQQLUGFSXQH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12)

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Names and synonyms

1 names
  • 3,5-Dinitro-4-hydroxyphenacetic acid

Work with 3,5-Dinitro-4-hydroxyphenylacetic 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-Hydroxy-3-nitrophenylacetic acid10463-20-468 % similar (4-Fluoro-3-nitrophenyl)acetic acid192508-36-463 % similar 4-Chloro-3-nitrophenylacetic acid37777-68-762 % similar 3,5-Dinitro-L-tyrosine17360-11-157 % similar (4-Nitrophenyl)acetic acid104-03-056 % similar 3-Nitrophenylacetic acid1877-73-255 % similar (2-Nitrophenyl)acetic acid3740-52-154 % similar 2,4-Dinitrophenylacetic acid643-43-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-hydroxy-3,5-dinitrobenzoate22633-33-6

Elsewhere

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