4-Ethyl-3-nitrobenzoic acid

C₉H₉NO₄CAS 103440-95-5195.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
logP: 1.86Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

103440-95-5

SMILES

CCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChIKey

DUTYVLOGZGRKMA-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c1-2-6-3-4-7(9(11)12)5-8(6)10(13)14/h3-5H,2H2,1H3,(H,11,12)

Weigh it out

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

Work with 4-Ethyl-3-nitrobenzoic 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 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 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