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50390-68-6

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Basic Information
CAS No.: 50390-68-6
Name: 2-METHYL-2-PHENYL-CYCLOPENTANONE
Article Data: 16
Molecular Structure:
Molecular Structure of 50390-68-6 (2-METHYL-2-PHENYL-CYCLOPENTANONE)
Formula: C12H14O
Molecular Weight: 174.243
Synonyms: 2-Methyl-2-phenylcyclopentanone;NSC 409887;
Density: 1.038 g/cm3
Boiling Point: 277 °C at 760 mmHg
Flash Point: 114.1 °C
PSA: 17.07000
LogP: 2.69730
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Specification

The Cyclopentanone,2-methyl-2-phenyl-, with the CAS registry number 50390-68-6, is also known as 2-Methyl-2-phenylcyclopentanone. This chemical's molecular formula is C12H14O and molecular weight is 174.239. What's more, its IUPAC name is 2-Methyl-2-phenylcyclopentan-1-one.

Physical properties about Cyclopentanone,2-methyl-2-phenyl- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 52.24 cm3; (9)Molar Volume: 167.8 cm3; (10)Polarizability: 20.71×10-24 cm3; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.038 g/cm3; (13)Flash Point: 114.1 °C; (14)Enthalpy of Vaporization: 51.55 kJ/mol; (15)Boiling Point: 277 °C at 760 mmHg; (16)Vapour Pressure: 0.00465 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCCC2(c1ccccc1)C
(2) InChI: InChI=1/C12H14O/c1-12(9-5-8-11(12)13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
(3) InChIKey: TYRYXIDSYINSHM-UHFFFAOYAD