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16856-72-7

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Basic Information
CAS No.: 16856-72-7
Name: Cyclopentanone, 2-(2-methylpropylidene)-
Molecular Structure:
Molecular Structure of 16856-72-7 (Cyclopentanone, 2-(2-methylpropylidene)-)
Formula: C9H14O
Molecular Weight: 138.2069
Synonyms: (2Z)-2-(2-Methylpropylidene)cyclopentanone;
Density: 1.017 g/cm3
Boiling Point: 214.6 °C at 760 mmHg
Flash Point: 82.8 °C
PSA: 17.07000
LogP: 2.32180
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Specification

The CAS registry number of Cyclopentanone, 2-(2-methylpropylidene)- is 16856-72-7. This chemical's molecular formula is C9H14O and molecular weight is 138.2069. What's more, its systematic name is (2Z)-2-(2-Methylpropylidene)cyclopentanone.

Physical properties about Cyclopentanone, 2-(2-methylpropylidene)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.38; (6)ACD/BCF (pH 7.4): 14.38; (7)ACD/KOC (pH 5.5): 234.57; (8)ACD/KOC (pH 7.4): 234.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 43.29 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 17.16×10-24 cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 45.09 kJ/mol; (21)Boiling Point: 214.6 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)\C=C1\CCCC1=O
(2) InChI: InChI=1/C9H14O/c1-7(2)6-8-4-3-5-9(8)10/h6-7H,3-5H2,1-2H3/b8-6-
(3) InChIKey: GSSRLAIHCZNDAA-VURMDHGXBL