Molecular Structure of (S)-2,6-Diisocyanatohexanoic acid (CAS NO.34050-00-5):
Empirical Formula: C8H10N2O4
Molecular Weight: 198.176
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 85.16 Å2
Index of Refraction: 1.523
Molar Refractivity: 48.92 cm3
Molar Volume: 159.9 cm3
Surface Tension: 50 dyne/cm
Density: 1.23 g/cm3
Flash Point: 154.8 °C
Enthalpy of Vaporization: 63.22 kJ/mol
Boiling Point: 332.4 °C at 760 mmHg
Vapour Pressure: 2.82E-05 mmHg at 25°C
SMILES: O=C(O)[C@@H](/N=C=O)CCCC/N=C=O
InChI: InChI=1/C8H10N2O4/c11-5-9-4-2-1-3-7(8(13)14)10-6-12/h7H,1-4H2,(H,13,14)/t7-/m0/s1
(S)-2,6-Diisocyanatohexanoic acid , with CAS number is 34050-00-5, can be called Hexanoicacid, 2,6-diisocyanato-, (S)- ; L-Lysine diisocyanate ; N-2-,N-6-Bis(oxomethylene)-L-lysine ; L-lysine, N-2-,N-6-dicarbonyl- .
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