Methyl 3-methyl-4-nitrobenzoate

C₉H₉NO₄CAS 24078-21-5195.17 g/mol

Open in Covalent MOL file

Ester Nitro Tertiary Amine

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
Melting point: 78–79 °C
logP: 1.69Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

24078-21-5

SMILES

COC(=O)c1ccc([N+](=O)[O-])c(C)c1

InChIKey

IEFONJKJLZFGKQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 3-methyl-4-nitro-, methyl ester
m-Toluic acid, 4-nitro-, methyl ester
NSC 92763
3-Methyl-4-nitrobenzoic acid methyl ester

Work with Methyl 3-methyl-4-nitrobenzoate

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 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Salicylamide O-acetic acid25395-22-6 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-7

Elsewhere

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