chempirical

Ethyl 3-hydroxybenzoate

C9H10O3CAS 7781-98-8166.18 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
74 °C
logP
1.57Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
7781-98-8
SMILES
CCOC(=O)c1cccc(O)c1
InChIKey
MWSMNBYIEBRXAL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 3-hydroxy-, ethyl ester
  • Benzoic acid, m-hydroxy-, ethyl ester
  • Ethyl m-hydroxybenzoate
  • m-Ethoxycarbonylphenol
  • 3-Hydroxybenzoic acid ethyl ester
  • m-Hydroxybenzoic acid ethyl ester
  • NSC 32427

Work with Ethyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethyl 1,3-benzenedicarboxylate636-53-375 % similar Ethyl m-chlorobenzoate1128-76-365 % similar Ethyl 3-methylbenzoate120-33-265 % similar Ethyl 3-bromobenzoate24398-88-765 % similar Ethyl 3-fluorobenzoate451-02-565 % similar Methyl 3-hydroxybenzoate19438-10-964 % similar Ethyl 3-aminobenzoate582-33-263 % similar Ethyl protocatechuate3943-89-362 % 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

PubChem CAS Common Chemistry NIST WebBook