chempirical

Methyl o-cresotinate

C9H10O3CAS 23287-26-5166.18 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Density
1.1683 g/mL (at 0 °C)
Melting point
29 °C
Boiling point
235 °C
logP
1.49Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
23287-26-5
SMILES
COC(=O)c1cccc(C)c1O
InChIKey
SUHLUMKZPUMAFP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
  • 2,3-Cresotic acid, methyl ester
  • 2-Hydroxy-3-methylbenzoic acid methyl ester
  • Methyl 3-methylsalicylate
  • Methyl 2-hydroxy-3-methylbenzoate
  • Levegal PT
  • NSC 165638

Work with Methyl o-cresotinate

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

Methyl 2,3-dihydroxybenzoate2411-83-869 % similar Methyl 2-methylbenzoate89-71-467 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-765 % similar 2-Carbomethoxy-6-methylaniline22223-49-064 % similar Methyl 2-bromo-3-methylbenzoate131001-86-062 % similar 3-Methylsalicylic acid83-40-958 % similar Methyl 3-nitrosalicylate22621-41-657 % similar Dimethyl phthalate131-11-356 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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