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70094-78-9

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Basic Information
CAS No.: 70094-78-9
Name: DL-SERINE (2,3,3-D3)
Molecular Structure:
Molecular Structure of 70094-78-9 (DL-SERINE (2,3,3-D3))
Formula: C3H4D3NO3
Molecular Weight: 108.1111
Synonyms: DL-Serine-2,3,3-d3;
Density: 1.456 g/cm3
Boiling Point: 394.822 °C at 760 mmHg
Flash Point: 192.582 °C
PSA: 83.55000
LogP: -0.90910
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Specification

The Serine-2,3,3-d3, with the CAS registry number 70094-78-9, is also called DL-Serine (2,3,3-d3). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H4D3NO3.

The characteristics of Serine-2,3,3-d3 are as followings: (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: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 83.55 Å2; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 22.541 cm3; (12)Molar Volume: 74.241 cm3; (13)Polarizability: 8.936×10-24cm3; (14)Surface Tension: 72.254 dyne/cm; (15)Density: 1.456 g/cm3; (16)Flash Point: 192.582 °C; (17)Enthalpy of Vaporization: 74.557 kJ/mol; (18)Boiling Point: 394.822 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])(C(=O)O)N)O
(2)InChI: InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i1D2,2D
(3)InChIKey: MTCFGRXMJLQNBG-FUDHJZNOEJ