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6973-62-2

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Basic Information
CAS No.: 6973-62-2
Name: Nsc40742
Article Data: 4
Molecular Structure:
Molecular Structure of 6973-62-2 (Nsc40742)
Formula: C10H16O5
Molecular Weight: 216.234
Synonyms: NSC 40742;
Density: 1.109 g/cm3
Boiling Point: 290.9 °C at 760 mmHg
Flash Point: 124.5 °C
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Specification

The CAS registry number of Hexitol,2,5-anhydro-3,4-dideoxy-, diacetate (9CI) is 6973-62-2. This chemical's molecular formula is C10H16O5 and molecular weight is 216.231. What's more, its systematic name is 1,6-Di-O-acetyl-2,5-anhydro-3,4-dideoxyhexitol.

Physical properties about Hexitol,2,5-anhydro-3,4-dideoxy-, diacetate (9CI) are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 61.83 Å2; (7)Index of Refraction: 1.441; (8)Molar Refractivity: 51.52 cm3; (9)Molar Volume: 194.8 cm3; (10)Polarizability: 20.42×10-24 cm3; (11)Surface Tension: 37.4 dyne/cm; (12)Density: 1.109 g/cm3; (13)Flash Point: 124.5 °C; (14)Enthalpy of Vaporization: 53.03 kJ/mol; (15)Boiling Point: 290.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00202 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OC(CC1)COC(=O)C)C
(2)InChI: InChI=1/C10H16O5/c1-7(11)13-5-9-3-4-10(15-9)6-14-8(2)12/h9-10H,3-6H2,1-2H3
(3)InChIKey: PXKOWWAMUSQKRL-UHFFFAOYAD