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Name |
Benzeneacetic-d2 acid,3,4,5-trimethoxy- (9CI) |
EINECS | N/A |
CAS No. | 344299-45-2 | Density | 1.208 g/cm3 |
PSA | 64.99000 | LogP | 1.33950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12D2O5 | Boiling Point | 360.848 °C at 760 mmHg |
Molecular Weight | 228.24 | Flash Point | 138.085 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzeneacetic-d2 acid, 3,4,5-trimethoxy-;(3,4,5-Trimethoxyphenyl)(2H2)acetic acid; |
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