chempirical

3-Methoxysalicylic acid

C8H8O4CAS 877-22-5168.15 g/mol

Open in Covalent MOL file
OOOHHO
Carboxylic acidEtherPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
150–152 °C
logP
1.10Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
877-22-5
SMILES
COc1cccc(C(=O)O)c1O
InChIKey
AUZQQIPZESHNMG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 2-hydroxy-3-methoxy-
  • m-Anisic acid, 2-hydroxy-
  • Salicylic acid, 3-methoxy-
  • 2-Hydroxy-3-methoxybenzoic acid
  • o-Vanillic acid
  • 3-Methoxy-2-hydroxybenzoic acid
  • NSC 134533
  • NSC 408167

Work with 3-Methoxysalicylic acid

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

O-Anisic acid579-75-970 % similar 2,3-Dimethoxybenzoic acid1521-38-669 % similar 2-Amino-3-methoxybenzoic acid3177-80-865 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-765 % similar 2,6-Dimethoxybenzoic acid1466-76-862 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-359 % similar 3-Aminosalicylic acid570-23-058 % similar 3-Methylsalicylic acid83-40-958 % 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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