The CAS register number of 3-Phenyl-3-buten-2-one is 32123-84-5. It also can be called as 2-Phenyl-1-buten-3-one and the systematic name about this chemical is 3-phenylbut-3-en-2-one. The molecular formula about this chemical is C10H10O and the molecular weight is 146.188.
Physical properties about 3-Phenyl-3-buten-2-one are: (1)ACD/LogP: 2.20; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07 Å2; (5)Index of Refraction: 1.518; (6)Molar Refractivity: 45.11 cm3; (7)Molar Volume: 148.8 cm3; (8)Polarizability: 17.88x10-24cm3; (9)Surface Tension: 33.1 dyne/cm; (10)Density: 0.981 g/cm3; (11)Flash Point: 97.1 °C; (12)Enthalpy of Vaporization: 50.96 kJ/mol; (13)Boiling Point: 271.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00646 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C(=C)c1ccccc1)C
(2)InChI: InChI=1/C10H10O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3
(3)InChIKey: FEZMTSUOSTXNBJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H10O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3
(5)Std. InChIKey: FEZMTSUOSTXNBJ-UHFFFAOYSA-N
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