chempirical

3,5-Dimethoxybenzoic acid

C9H10O4CAS 1132-21-4182.17 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEther

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
185.5 °C
logP
1.40Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1132-21-4
SMILES
COc1cc(OC)cc(C(=O)O)c1
InChIKey
IWPZKOJSYQZABD-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 3,5-dimethoxy-
  • NSC 43744
  • NSC 8514

Work with 3,5-Dimethoxybenzoic 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

3-Methoxybenzoic acid586-38-968 % similar 3-Methoxy-5-(trifluoromethyl)benzoic acid53985-48-168 % similar P-Anisic acid100-09-466 % similar Eudesmic acid118-41-261 % similar 2,4,6-Trimethoxybenzoic acid570-02-561 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-859 % similar Syringic acid530-57-459 % similar 3,5-Dimethoxy-4-methylbenzoic acid61040-81-159 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook