4-Hydroxy-3-nitrophenylacetic acid

C₈H₇NO₅CAS 10463-20-4197.15 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Phenol

Properties

Molecular formula: C₈H₇NO₅
Molar mass: 197.15 g/mol
Exact mass: 197.0324 Da
Melting point: 146–147 °C
logP: 0.93Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

10463-20-4

SMILES

O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1

InChIKey

QBHBHOSRLDPIHG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Benzeneacetic acid, 4-hydroxy-3-nitro-
Acetic acid, (4-hydroxy-3-nitrophenyl)-
4-Hydroxy-3-nitrobenzeneacetic acid
m-Nitro-p-hydroxyphenylacetic acid
Antibiotic T 000B1
Antibiotic T 0007B1
4-Hydroxy-5-nitrophenylacetic acid
3-Nitro-4-hydroxyphenylacetic acid
2-(4-Hydroxy-3-nitrophenyl)acetic acid

Work with 4-Hydroxy-3-nitrophenylacetic 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-Fluoro-3-nitrophenyl)acetic acid192508-36-471 % similar 4-Chloro-3-nitrophenylacetic acid37777-68-769 % similar 3,5-Dinitro-4-hydroxyphenylacetic acid10463-37-368 % similar 4-Hydroxy-3-nitrobenzyl alcohol41833-13-063 % similar 3,4-Dihydroxyphenylacetic acid102-32-961 % similar (4-Nitrophenyl)acetic acid104-03-060 % similar Nitrotyrosine621-44-360 % similar 3-Nitrophenylacetic acid1877-73-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-4 Methyl 5-nitrosalicylate17302-46-4 (4-Nitrophenoxy)acetic acid1798-11-4 2-Nitrophenoxyacetic acid1878-87-1 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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