chempirical

Methyl 3,4-Dihydroxy-2-methylbenzoate

C9H10O4CAS 740799-82-0182.17 g/mol

Open in Covalent MOL file
HOHOOO
EsterPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
logP
1.19Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
740799-82-0
SMILES
CC1=C(C=CC(=C1O)O)C(=O)OC
InChIKey
ONNFZKHTMFVKNY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,10-11H,1-2H3

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Names and synonyms

1 names
  • Benzoic acid, 3,4-dihydroxy-2-methyl-, methyl ester

Work with Methyl 3,4-Dihydroxy-2-methylbenzoate

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 3-hydroxy-2-methylbenzoate55289-05-965 % similar Methyl 2,3-dihydroxybenzoate2411-83-862 % similar Methyl 5-methylsalicylate22717-57-356 % similar Methyl 2-hydroxy-p-toluate4670-56-856 % similar Methyl salicylate119-36-854 % similar Methyl 2,5-dihydroxybenzoate2150-46-154 % similar Methyl 2,4-dihydroxybenzoate2150-47-254 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-054 % 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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