Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI) supplier

Name
3,4,5-TRIMETHOXYPHENYLACETIC-2,2-D2 ACID
EINECS
CAS No. 344299-45-2
Density 1.208 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂D₂O₅
Boiling Point 360.848 °C at 760 mmHg
Molecular Weight 228.24
Flash Point 138.085 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzeneacetic-d2 acid, 3,4,5-trimethoxy-;(3,4,5-Trimethoxyphenyl)(2H2)acetic acid;
PSA 64.99000
LogP 1.33950

Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI) Specification

The Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI), with the CAS registry number 344299-45-2, has the systematic name of (3,4,5-Trimethoxyphenyl)(²H₂)acetic acid. And the molecular formula of this chemical is C₁₁H₁₂D₂O₅. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI) are as following: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.726; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 64.99 Å²; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 57.402 cm³; (13)Molar Volume: 188.883 cm³; (14)Polarizability: 22.756×10^-24cm³; (15)Surface Tension: 40.222 dyne/cm; (16)Density: 1.208 g/cm³; (17)Flash Point: 138.085 °C; (18)Enthalpy of Vaporization: 64.005 kJ/mol; (19)Boiling Point: 360.848 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(c1cc(c(c(c1)OC)OC)OC)C(=O)O
(2)InChI: InChI=1/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)/i6D2
(3)InChIKey: DDSJXCGGOXKGSJ-NCYHJHSEEF

Product Name

3,4,5-TRIMETHOXYPHENYLACETIC-2,2-D2 ACID

Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI) Specification

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