2-Methyl-3-nitrobenzeneacetic acid

C₉H₉NO₄CAS 23876-15-5195.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Nitro Tertiary Amine

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
Melting point: 118 °C
logP: 1.53Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

23876-15-5

SMILES

Cc1c(CC(=O)O)cccc1[N+](=O)[O-]

InChIKey

LWIOFILTAJJDLA-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 2-methyl-3-nitro-
Acetic acid, (3-nitro-o-tolyl)-
2-(2-Methyl-3-nitrophenyl)acetic acid
2-Methyl-3-nitrophenylacetic acid

Work with 2-Methyl-3-nitrobenzeneacetic 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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook