chempirical

Methyl 2-hydroxy-3-methoxybenzoate

C9H10O4CAS 6342-70-7182.17 g/mol

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OOOHO
EsterEtherPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
64 °C
Boiling point
105 °C (at 2 Torr)
logP
1.19Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
6342-70-7
SMILES
COC(=O)c1cccc(OC)c1O
InChIKey
BWRCJLJJIXYLNV-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3

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

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-3-methoxy-, methyl ester
  • m-Anisic acid, 2-hydroxy-, methyl ester
  • Methyl 3-methoxysalicylate
  • 2-Hydroxy-3-methoxybenzoic acid methyl ester
  • NSC 46637

Work with Methyl 2-hydroxy-3-methoxybenzoate

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

Methyl 2-methoxybenzoate606-45-168 % similar Methyl 2,3-dihydroxybenzoate2411-83-867 % similar Methyl o-cresotinate23287-26-565 % similar 3-Methoxysalicylic acid877-22-565 % similar Methyl 2,6-dimethoxybenzoate2065-27-260 % similar Syringol91-10-156 % similar Methyl 3-nitrosalicylate22621-41-656 % similar Methyl syringate884-35-555 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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