chempirical

2,3-Dimethoxybenzoic acid

C9H10O4CAS 1521-38-6182.17 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Density
1.29 g/mL
Melting point
122–124 °C
logP
1.40Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1521-38-6
SMILES
COc1cccc(C(=O)O)c1OC
InChIKey
FODBVCSYJKNBLO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2,3-dimethoxy-
  • o-Veratric acid
  • NSC 406133

Work with 2,3-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

2,3,4-Trimethoxybenzoic acid573-11-573 % similar O-Anisic acid579-75-972 % similar 3-Chloro-2-methoxybenzoic acid3260-93-369 % similar 3-Methoxysalicylic acid877-22-569 % similar 3-Fluoro-2-methoxybenzoic acid106428-05-167 % similar 2-Amino-3-methoxybenzoic acid3177-80-867 % similar 2,3-Dimethoxybenzamide1521-39-766 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-360 % 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 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

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