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2987-06-6

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Basic Information
CAS No.: 2987-06-6
Name: 4-(Benzyloxy)cyclohexanone
Article Data: 33
Molecular Structure:
Molecular Structure of 2987-06-6 (4-(Benzyloxy)cyclohexanone)
Formula: C13H16O2
Molecular Weight: 204.269
Synonyms: 4-(Benzyloxy)cyclohexanone;
Density: 1.073 g/cm3
Boiling Point: 319.923 °C at 760 mmHg
Flash Point: 139.072 °C
PSA: 26.30000
LogP: 2.71490
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Specification

The CAS registry number of Cyclohexanone, 4-(phenylmethoxy)- is 2987-06-6. This chemical's molecular formula is C13H16O2 and molecular weight is 204.2649. What's more, its systematic name is 4-(Benzyloxy)cyclohexanone.

Physical properties about Cyclohexanone, 4-(phenylmethoxy)- are: (1) ACD/LogP: 2.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 19; (6) ACD/BCF (pH 7.4): 19; (7) ACD/KOC (pH 5.5): 288; (8) ACD/KOC (pH 7.4): 288; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.532; (14) Molar Refractivity: 58.957 cm3; (15) Molar Volume: 190.303 cm3; (16) Polarizability: 23.372×10-24 cm3; (17) Surface Tension: 39.831 dyne/cm; (18) Density: 1.073 g/cm3; (19) Flash Point: 139.072 °C; (20) Enthalpy of Vaporization: 56.155 kJ/mol; (21) Boiling Point: 319.923 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CCC(OCc1ccccc1)CC2
(2) InChI: InChI=1/C13H16O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
(3) InChIKey: FFGVIYUANJAFJS-UHFFFAOYAQ