chempirical

2,5-Dimethoxybenzoic acid

C9H10O4CAS 2785-98-0182.17 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
80 °C
logP
1.40Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
2785-98-0
SMILES
COc1ccc(OC)c(C(=O)O)c1
InChIKey
NYJBTJMNTNCTCP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)

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

Names and synonyms

2 names
  • Benzoic acid, 2,5-dimethoxy-
  • NSC 44887

Work with 2,5-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

2,4-Dimethoxybenzoic acid91-52-176 % similar 4-Methoxyphthalic acid1885-13-875 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-171 % similar 5-Methoxysalicylic acid2612-02-469 % similar 2-Bromo-5-methoxybenzoic acid22921-68-267 % similar 5-Bromo-2-methoxybenzoic acid2476-35-967 % similar 5-Chloro-2-methoxybenzoic acid3438-16-267 % similar 2-Chloro-5-methoxybenzoic acid6280-89-367 % 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 3,5-Dimethoxybenzoic acid1132-21-4 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

Elsewhere

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