chempirical

3-Methoxybenzoic acid

C8H8O3CAS 586-38-9152.15 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
107 °C
Boiling point
170 °C
logP
1.39Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
586-38-9
SMILES
COc1cccc(C(=O)O)c1
InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 3-methoxy-
  • m-Anisic acid
  • m-Methoxybenzoic acid
  • 3-Anisic acid
  • NSC 27014
  • NSC 9264

Work with 3-Methoxybenzoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethoxybenzoic acid1132-21-468 % similar 3-Phenoxybenzoic acid3739-38-667 % similar 6-Methoxy-2-naphthoic acid2471-70-766 % similar 3-Ethoxybenzoic acid621-51-264 % similar 3-(Acetyloxy)benzoic acid6304-89-864 % similar Isophthalic acid121-91-562 % similar 3-Methoxyacetophenone586-37-862 % similar 3-Methoxybenzoyl chloride1711-05-360 % similar

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

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook