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96927-56-9

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Basic Information
CAS No.: 96927-56-9
Name: DL-GLUTAMIC-2,4,4-D3 ACID
Molecular Structure:
Molecular Structure of 96927-56-9 (DL-GLUTAMIC-2,4,4-D3 ACID)
Formula: C5H6D3NO4
Molecular Weight: 150.107
Synonyms: glutamic-2,4,4-d3 acid;
Density: 1.439 g/cm3
Melting Point: 185 °C (dec)(lit.)
Boiling Point: 333.783 °C at 760 mmHg
Flash Point: 155.667 °C
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Specification

The DL-Glutamic-2,4,4-D3 acid with the CAS number 96927-56-9 is also called glutamic-2,4,4-d3 acid. The systematic name is (2,4,4-2H3)Glutamic acid. Its molecular formula is C5H6D3NO4. The product category is Amino Acids 13C, 2H, 15N. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 100.62 Å2; (10)Index of Refraction: 1.522; (11)Molar Refractivity: 31.836 cm3; (12)Molar Volume: 104.375 cm3; (13)Polarizability: 12.621×10-24cm3; (14)Surface Tension: 69.243 dyne/cm; (15)Enthalpy of Vaporization: 63.385 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(CC([2H])(C(=O)O)N)C(=O)O
(2)InChI: InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i2D2,3D
(3)InChIKey: WHUUTDBJXJRKMK-UHVFUKFAEL