Molecule structure of Tetrahydro-2-phenyl-4H-pyran-4-one (CAS NO.147688-62-8):
IUPAC Name: 2-Phenyloxan-4-one
Molecular Weight: 176.21178 [g/mol]
Molecular Formula: C11H12O2
Index of Refraction: 1.535
Molar Refractivity: 49.239 cm3
Molar Volume: 158.179 cm3
Surface Tension: 40.054 dyne/cm
Density: 1.114 g/cm3
Flash Point: 141.521 °C
Enthalpy of Vaporization: 54.664 kJ/mol
Boiling Point: 306.145 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 176.08373
MonoIsotopic Mass: 176.08373
Topological Polar Surface Area: 26.3
Heavy Atom Count: 13
Canonical SMILES: C1COC(CC1=O)C2=CC=CC=C2
InChI: InChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey: WDYWHODSDKVYAL-UHFFFAOYSA-N
Product Categories of Tetrahydro-2-phenyl-4H-pyran-4-one (CAS NO.147688-62-8): API intermediates
Tetrahydro-2-phenyl-4H-pyran-4-one (CAS NO.147688-62-8) is also named as 2-Phenyldihydro-2H-pyran-4(3H)-one ; 2-Phenyltetrahydro-4H-pyran-4-one ; 4H-Pyran-4-one, tetrahydro-2-phenyl- .
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