2,4-Dimethylbenzoic acid

C₉H₁₀O₂CAS 611-01-8150.18 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
Melting point: 90 °C
Boiling point: 268 °C
logP: 2.00Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

611-01-8

SMILES

Cc1ccc(C(=O)O)c(C)c1

InChIKey

BKYWPNROPGQIFZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 2,4-dimethyl-
4-Carboxy-1,3-dimethylbenzene
NSC 407532

Work with 2,4-Dimethylbenzoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethylbenzoic acid610-72-073 % similar 4-Methylphthalic acid4316-23-872 % similar 2-Amino-4-methylbenzoic acid2305-36-466 % similar 4-Methylsalicylic acid50-85-166 % similar 4-Hydroxy-2-methylbenzoic acid578-39-266 % similar 4-Amino-2-methylbenzoic acid2486-75-164 % similar 2-Iodo-5-methylbenzoic acid52548-14-864 % similar 4-Bromo-2-methylbenzoic acid68837-59-264 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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