3,5-Dinitro-4-hydroxyphenylacetic acid

C₈H₆N₂O₇CAS 10463-37-3242.14 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Phenol

Properties

Molecular formula: C₈H₆N₂O₇
Molar mass: 242.14 g/mol
Exact mass: 242.0175 Da
logP: 0.84Crippen estimate
Polar surface area: 143.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

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

3,5-Dinitro-L-tyrosine17360-11-157 % similar 3-Nitrophenylacetic acid1877-73-255 % similar (2-Nitrophenyl)acetic acid3740-52-154 % similar 2,4-Dinitrophenylacetic acid643-43-653 % similar Picric acid88-89-153 % similar 2,6-Dinitro-P-cresol609-93-850 % similar Dunnite131-74-849 % similar 3,5-Dihydroxyphenylacetic acid4670-09-149 % 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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