Molecular Structure of (3,6-Dihydro-2H-pyran-4-yl)boronic acid (CAS NO.1002127-60-7):
Systematic Name: 3,6-Dihydro-2H-pyran-4-ylboronic acid
Molecular Formula: C5H9BO3
Molecular Weight: 127.93
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Index of Refraction: 1.48
Molar Refractivity: 31.11 cm3
Molar Volume: 109.4 cm3
Surface Tension: 38.6 dyne/cm
Density: 1.16 g/cm3
Flash Point: 131.1 °C
Enthalpy of Vaporization: 61.8 kJ/mol
Boiling Point: 293.1 °C at 760 mmHg
Vapour Pressure: 0.000187 mmHg at 25 °C
SMILES: OB(O)C\1=C\COCC/1
InChI: InChI=1/C5H9BO3/c7-6(8)5-1-3-9-4-2-5/h1,7-8H,2-4H2
InChIKey: YVWATSXVUOJOIG-UHFFFAOYAS
(3,6-Dihydro-2H-pyran-4-yl)boronic acid (CAS NO.1002127-60-7), its Synonyms are 3,6-Dihydro-2H-pyran-4-boronic acid ; Acide 3,6-dihydro-2H-pyran-4-ylboronique ; Boronic acid, B-(3,6-dihydro-2H-pyran-4-yl)- .
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