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1300-23-8

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Basic Information
CAS No.: 1300-23-8
Name: Dilithium glycerophosphate
Molecular Structure:
Molecular Structure of 1300-23-8 (Dilithium glycerophosphate)
Formula: C3H7Li2O6P
Molecular Weight: 183.94
Synonyms: dilithium 3-phosphonatooxypropane-1,2-diol;
EINECS: 215-078-3
Boiling Point: 485.5 °C at 760 mmHg
Flash Point: 247.4 °C
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Specification

The Dilithium glycerophosphate, with the CAS registry number 1300-23-8, is also known as Dilithium glycerophosphate. Its EINECS number is 215-078-3. This chemical's molecular formula is C3H7Li2O6P and molecular weight is 183.94. What's more, its systematic name is dilithium 2,3-dihydroxypropyl phosphate.

Physical properties of Dilithium glycerophosphate are: (1)ACD/LogP: -2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.18; (4)ACD/LogD (pH 7.4): -7.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 95.03 Å2; (13)Flash Point: 247.4 °C; (14)Enthalpy of Vaporization: 86.54 kJ/mol; (15)Boiling Point: 485.5 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Li+].[Li+].[O-]P([O-])(=O)OCC(O)CO
(2)InChI: InChI=1/C3H9O6P.2Li/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
(3)InChIKey: JZJVSRKZXGLAMI-NUQVWONBAX