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CAS No.: 67006-34-2
Name: 1,3-Bis(hydroxyethylsulfonyl)propanol
Molecular Structure:
Molecular Structure of 67006-34-2 (1,3-Bis(hydroxyethylsulfonyl)propanol)
Formula: C7H16O7S2
Molecular Weight: 276.33
Synonyms: 1,3-Bis(b-hydroxyethylsulfonyl)-2-propanol;1,3-Bis[(2-hydroxyethyl)sulfonyl]-2-propanol;2-Propanol,1,3-bis[(2-hydroxyethyl)sulfonyl]-;
Density: 1.536 g/cm3
Boiling Point: 636.6 °C at 760 mmHg
Flash Point: 338.8 °C
PSA: 145.73000
LogP: -0.32930
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Chemistry

Systematic Name: 1-Propanol, 1,3-bis[(1-hydroxyethyl)sulfonyl]-
Synonyms of 1,3-Bis(hydroxyethylsulfonyl)propanol (CAS NO.67006-34-2): 1,3-Bis(b-hydroxyethylsulfonyl)-2-propanol ; 1,3-Bis[(2-hydroxyethyl)sulfonyl]-2-propanol
CAS NO: 67006-34-2
Molecular Formula: C7H16O7S2
Molecular Weight: 276.33
Molecular Structure:
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 145.73 Å2
Index of Refraction: 1.542
Molar Refractivity: 56.62 cm3
Molar Volume: 179.7 cm3
Surface Tension: 69.6 dyne/cm
Density: 1.536 g/cm3
Flash Point: 338.8 °C
Enthalpy of Vaporization: 107.77 kJ/mol
Boiling Point: 636.6 °C at 760 mmHg
Vapour Pressure: 6.91E-19 mmHg at 25°C 
SMILES: CC(O)S(=O)(=O)CCC(O)S(=O)(=O)C(C)O
InChI: InChI=1/C7H16O7S2/c1-5(8)15(11,12)4-3-7(10)16(13,14)6(2)9/h5-10H,3-4H2,1-2H3
InChIKey: MZMRDTBVWOZMAG-UHFFFAOYAY
Std. InChI: InChI=1S/C7H16O7S2/c1-5(8)15(11,12)4-3-7(10)16(13,14)6(2)9/h5-10H,3-4H2,1-2H3
Std. InChIKey: MZMRDTBVWOZMAG-UHFFFAOYSA-N