3,4,5-Trimethoxyphenylacetic acid

The molecular structure of 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6):

IUPAC Name: 2-(3,4,5-Trimethoxyphenyl)acetic acid 
Molecular Weight: 226.22586 g/mol
Molecular Formula: C₁₁H₁₄O₅ 
Density: 1.197 g/cm³ 
Melting Point: 117-120 °C(lit.)
Boiling Point: 360.8 °C at 760 mmHg 
Flash Point: 138.1 °C
Index of Refraction: 1.519
Molar Refractivity: 57.4 cm³
Molar Volume: 188.8 cm³
Surface Tension: 40.2 dyne/cm 
Enthalpy of Vaporization: 64.01 kJ/mol
Vapour Pressure: 7.75E-06 mmHg at 25 °C 
Water Solubility: soluble
XLogP3: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 226.084124
MonoIsotopic Mass: 226.084124
Topological Polar Surface Area: 65
Heavy Atom Count: 16
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O
InChI: InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKey: DDSJXCGGOXKGSJ-UHFFFAOYSA-N
EINECS: 213-456-2
Product Categories: Aromatic Phenylacetic Acids and Derivatives; Biochemics; C11 to C12; Carbonyl Compounds; Carboxylic Acids

Hazard Codes: Xi
Risk Statements: 38 
R38:Irritating to skin.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29189090

 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6) is also named as benzeneacetic acid, 3,4,5-trimethoxy- ; (3,4,5-Trimethoxy-phenyl)-acetic acid ; 3,4,5-Trimethoxyphenylacetic acid 98% ; acetic acid, 3,4,5-trimethoxyphenyl- ; Benzeneacetic acid, 3,4,5-trimethoxy- (9CI) . 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6) is white to cream-colored crystalline powder.