chempirical

Methyl 3-hydroxybenzoate

C8H8O3CAS 19438-10-9152.15 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
73 °C
Boiling point
281 °C
logP
1.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
19438-10-9
SMILES
COC(=O)c1cccc(O)c1
InChIKey
YKUCHDXIBAQWSF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 3-hydroxy-, methyl ester
  • Benzoic acid, m-hydroxy-, methyl ester
  • 3-Hydroxybenzoic acid methyl ester
  • Methyl m-hydroxybenzoate
  • m-Hydroxybenzoic acid methyl ester
  • m-Carbomethoxyphenol
  • 3-Carbomethoxyphenol
  • 3-(Methoxycarbonyl)phenol
  • NSC 40536

Work with Methyl 3-hydroxybenzoate

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

Dimethyl isophthalate1459-93-472 % similar Dimethyl 5-hydroxyisophthalate13036-02-768 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-968 % similar Ethyl 3-hydroxybenzoate7781-98-864 % similar Methylparaben99-76-363 % similar m-Chlorobenzoic acid methyl ester2905-65-962 % similar Methyl m-fluorobenzoate455-68-562 % similar Methyl 3-bromobenzoate618-89-362 % similar

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

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

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