Propanedioic acid,ethyl-2,2,2-d3- (9CI) supplier

Name
ETHYL-2,2,2-D3-MALONIC ACID
EINECS
CAS No. 70907-93-6
Density 1.342 g/cm³
Solubility
Melting Point
Formula C₅H₅D₃O₄
Boiling Point 322.22 °C at 760 mmHg
Molecular Weight 135.092
Flash Point 162.887 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2,2,2-2H3)Ethylmalonic acid;
PSA 74.60000
LogP 0.18180

Propanedioic acid,ethyl-2,2,2-d3- (9CI) Specification

The CAS registry number of Propanedioic acid,ethyl-2,2,2-d₃- (9CI) is 70907-93-6. This chemical is also named as Ethyl-2,2,2-d₃-malonic acid. In addition, its molecular formula is C₅H₅D₃O₄ and molecular weight is 135.13. Its systematic name is called (2,2,2-²H₃)Ethylmalonic acid.

Physical properties about Propanedioic acid,ethyl-2,2,2-d₃- (9CI) are: (1)ACD/LogP: 0.19; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 28.301 cm³; (12)Molar Volume: 100.697 cm³; (13)Surface Tension: 53.276 dyne/cm; (14)Density: 1.342 g/cm³; (15)Flash Point: 162.887 °C; (16)Enthalpy of Vaporization: 62.013 kJ/mol; (17)Boiling Point: 322.22 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])CC(C(=O)O)C(=O)O
(2)InChI: InChI=1/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)/i1D3
(3)InChIKey: UKFXDFUAPNAMPJ-FIBGUPNXEW

Product Name

ETHYL-2,2,2-D3-MALONIC ACID

Propanedioic acid,ethyl-2,2,2-d3- (9CI) Specification

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