m-Toluic acid

C8H8O2CAS 99-04-7136.15 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Density
1.054 g/mL (at 112.2 °C)
Melting point
108.7 °C
Boiling point
148–150 °C (at NaN Torr)
Water solubility
< 1 g/L (18.9 °C)
logP
1.69Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 140 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
99-04-7
SMILES
Cc1cccc(C(=O)O)c1
InChIKey
GPSDUZXPYCFOSQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 3-methyl-
  • 3-Methylbenzoic acid
  • m-Methylbenzoic acid
  • β-Methylbenzoic acid
  • NSC 2214

Work with m-Toluic 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

3'-Methyl-biphenyl-3-carboxylic acid158619-46-680 % similar Isophthalic acid121-91-569 % similar 4'-Methylbiphenyl-3-carboxylic acid147404-69-167 % similar 3,5-Dimethylbenzoic acid499-06-964 % similar Uvitic acid499-49-064 % similar 3,3'-Disulfanediyldibenzoic acid1227-49-261 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-761 % similar 3-Benzoylbenzoic acid579-18-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 o-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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