Eudesmic acid

C₁₀H₁₂O₅CAS 118-41-2212.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₅
Molar mass: 212.20 g/mol
Exact mass: 212.0685 Da
Melting point: 172.3 °C
logP: 1.41Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation59.8% of notifiers
H319 Causes serious eye irritation59.8% of notifiers
H335 May cause respiratory irritation58.8% of notifiers

Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118-41-2

SMILES

COc1cc(C(=O)O)cc(OC)c1OC

InChIKey

SJSOFNCYXJUNBT-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzoic acid
Gallic acid trimethyl ether
Tri-O-methylgallic acid
Trimethylgallic acid
NSC 2525

Reactions

TRIMETHYLGALLIC ACID (Benzoic acid, 3,4,5-trimethoxy-)product

Work with Eudesmic 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-Hydroxy-4,5-dimethoxybenzoic acid1916-08-178 % similar Syringic acid530-57-471 % similar 3,5-Dimethoxy-4-methylbenzoic acid61040-81-171 % similar 4-Bromo-3,5-dimethoxybenzoic acid56518-42-469 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-866 % similar Veratric acid93-07-266 % similar 3,5-Difluoro-4-methoxybenzoic acid319-60-864 % similar 3,5-Dibromo-4-methoxybenzoic acid4073-35-264 % similar

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

Same formula

Propyl gallate121-79-9 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-2 2,4,5-Trimethoxybenzoic acid490-64-2 Diethyl 2,5-furandicarboxylate53662-83-2 2,4,6-Trimethoxybenzoic acid570-02-5 2,3,4-Trimethoxybenzoic acid573-11-5 Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-2 Methyl syringate884-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia