Methyl 2,3-dihydroxybenzoate

C8H8O4CAS 2411-83-8168.15 g/mol

Open in Covalent MOL file
OOOHHO
EsterPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
79–80 °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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2411-83-8
SMILES
COC(=O)c1cccc(O)c1O
InChIKey
DOAJWTSNTNAEIY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2,3-dihydroxy-, methyl ester
  • o-Pyrocatechuic acid, methyl ester
  • 2,3-Dihydroxybenzoic acid methyl ester
  • NSC 174147

Work with Methyl 2,3-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 salicylate119-36-872 % similar Methyl 3-bromo-2-hydroxybenzoate28165-45-971 % similar Methyl o-cresotinate23287-26-569 % similar Methyl 3-hydroxy-2-methylbenzoate55289-05-969 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-767 % similar Methyl 3,4-Dihydroxy-2-methylbenzoate740799-82-062 % similar Methyl 3-nitrosalicylate22621-41-659 % similar Dimethyl phthalate131-11-358 % 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 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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