The Methanediol(6CI,7CI,8CI,9CI), with the CAS registry number 463-57-0, is also known as Methylene glycol. Its EINECS registry number is 207-339-5. This chemical's molecular formula is CH4O2 and molecular weight is 48.04126. What's more, both its IUPAC name and systematic name are the same which is called Methanediol.
Physical properties about Methanediol(6CI,7CI,8CI,9CI) 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): 6.428; (5)ACD/KOC (pH 7.4): 6.428; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 40.46 Å2; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 9.752 cm3; (12)Molar Volume: 40.054 cm3; (13)Surface Tension: 47.95 dyne/cm; (14)Density: 1.199 g/cm3; (15)Flash Point: 99.753 °C; (16)Enthalpy of Vaporization: 50.029 kJ/mol; (17)Boiling Point: 193.726 °C at 760 mmHg; (18)Vapour Pressure: 0.121 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(O)O
(2) InChI: InChI=1/CH4O2/c2-1-3/h2-3H,1H2
(3) InChIKey: CKFGINPQOCXMAZ-UHFFFAOYAK
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