Methyl 2,6-dihydroxybenzoate

C8H8O4CAS 2150-45-0168.15 g/mol

Open in Covalent MOL file
OOHOHO
EsterPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
68–69 °C
logP
0.88Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2150-45-0
SMILES
COC(=O)c1c(O)cccc1O
InChIKey
WCQZCKUNZVMBDC-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3

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Names and synonyms

3 names
  • Benzoic acid, 2,6-dihydroxy-, methyl ester
  • γ-Resorcylic acid, methyl ester
  • 2,6-Dihydroxy-benzoic acid methylester

Work with Methyl 2,6-dihydroxybenzoate

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-fluoro-6-hydroxybenzoate72373-81-075 % similar Methyl salicylate119-36-865 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-565 % similar Methyl 2,3-dihydroxybenzoate2411-83-864 % similar Methyl 2-hydroxy-1-naphthoate947-65-963 % similar Methyl 3-hydroxy-2-methylbenzoate55289-05-962 % similar Methyl 2,6-dichlorobenzoate14920-87-758 % similar Methyl 3-Hydroxy-2-pyridinecarboxylate62733-99-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-Acetoxymethyl-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,5-dihydroxybenzoate2150-46-1

Elsewhere

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