chempirical

Methyl 3-hydroxy-4-methoxybenzoate

C9H10O4CAS 6702-50-7182.17 g/mol

Open in Covalent MOL file
OOOHO
EsterEtherPhenol

Properties

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

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
6702-50-7
SMILES
COC1=C(C=C(C=C1)C(=O)OC)O
InChIKey
QXOXUEFXRSIYSW-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3

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Work with Methyl 3-hydroxy-4-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 vanillate3943-74-677 % similar Methyl 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 3,4-dimethoxybenzoate2150-38-171 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-568 % similar Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-266 % similar Methyl 3-amino-4-methoxybenzoate24812-90-665 % similar Methyl 3-hydroxy-4-methylbenzoate3556-86-365 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-965 % 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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