chempirical

4-Methoxy-1,3-benzenedicarboxylic acid

C9H8O5CAS 2206-43-1196.16 g/mol

Open in Covalent MOL file
OOOHOOH
Carboxylic acidEther

Properties

Molecular formula
C9H8O5
Molar mass
196.16 g/mol
Exact mass
196.0372 Da
Melting point
265 °C
Boiling point
271 °C
logP
1.09Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
2206-43-1
SMILES
COc1ccc(C(=O)O)cc1C(=O)O
InChIKey
JIICYHFLIOGGHE-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedicarboxylic acid, 4-methoxy-
  • Isophthalic acid, 4-methoxy-
  • 4-Methoxyisophthalic acid
  • 2-Methoxy-1,5-benzenedicarboxylic acid
  • NSC 20694

Work with 4-Methoxy-1,3-benzenedicarboxylic 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

Veratric acid93-07-275 % similar 2,5-Dimethoxybenzoic acid2785-98-071 % similar 3-Amino-4-methoxybenzoic acid2840-26-869 % similar Isovanillic acid645-08-969 % similar 5-Bromo-2-methoxybenzoic acid2476-35-967 % similar 5-Chloro-2-methoxybenzoic acid3438-16-267 % similar 3-Chloro-4-methoxybenzoic acid37908-96-667 % similar 3-Fluoro-4-methoxybenzoic acid403-20-367 % similar

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

Same formula

4-Methoxyphthalic acid1885-13-8 3′,4′-Methylenedioxymandelic acid27738-46-1 2-(Carboxymethoxy)benzoic acid635-53-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook