chempirical

Atraric acid

C10H12O4CAS 4707-47-5196.20 g/mol

Open in Covalent MOL file
OOOHHO
EsterPhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
143 °C
logP
1.50Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
4707-47-5
SMILES
COC(=O)c1c(C)cc(O)c(C)c1O
InChIKey
UUQHKWMIDYRWHH-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3

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Names and synonyms

16 names · show all
  • Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
  • β-Resorcylic acid, 3,6-dimethyl-, methyl ester
  • Methyl β-orcinolcarboxylate
  • Methyl 3,6-dimethyl-β-resorcylate
  • Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
  • Evernyl
  • Methyl 3,6-dimethyl-2,4-dihydroxybenzoate
  • Moss synth
  • Everniate
  • Oakmoss synthetic
  • LRG 201
  • Methyl atrarate
  • Methyl β-orsellinate
  • Mousse cristal
  • 2,4-Dihydroxy-3,6-dimethyl-benzoic acid methyl ester
  • Veramoss

Work with Atraric 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

Methyl 2,4,6-trihydroxybenzoate3147-39-551 % similar Methyl gallate99-24-151 % similar Methyl 2,6-dihydroxybenzoate2150-45-049 % similar Methyl o-cresotinate23287-26-547 % similar Trimethylhydroquinone700-13-046 % similar Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate41264-06-644 % similar Methyl 2,3-dihydroxybenzoate2411-83-844 % similar Methyl 3,4-dihydroxybenzoate2150-43-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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