chempirical

2,3-Dimethylbenzoic acid

C9H10O2CAS 603-79-2150.18 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
143–144 °C
logP
2.00Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
603-79-2
SMILES
Cc1cccc(C(=O)O)c1C
InChIKey
RIZUCYSQUWMQLX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/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, 2,3-dimethyl-
  • Hemellitic acid
  • NSC 407533

Work with 2,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mefenamic acid61-68-767 % similar 2-Iodo-3-methylbenzoic acid108078-14-466 % similar 3-Amino-2-methylbenzoic acid52130-17-366 % similar 3-Chloro-2-methylbenzoic acid7499-08-366 % similar 3-Methylsalicylic acid83-40-966 % similar 2,2′-Dithiobis(3-methylbenzoic acid)13363-59-264 % similar 2-Amino-3-methylbenzoic acid4389-45-164 % similar 2-Bromo-3-methylbenzoic acid53663-39-164 % 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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