Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Methyl-3-phenylcyclobutanone |
EINECS | N/A |
CAS No. | 151990-53-3 | Density | 1.067 g/cm3 |
PSA | 17.07000 | LogP | 2.30720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12O | Boiling Point | 257.803 °C at 760 mmHg |
Molecular Weight | 160.216 | Flash Point | 104.414 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methyl-3-phenylcyclobutan-1-one; |
Article Data | 29 |
The CAS registry number of 3-Methyl-3-phenylcyclobutanone is 151990-53-3. This chemical's molecular formula is C11H12O and molecular weight is 160.2124. What's more, its systematic name is called 3-Methyl-3-phenyl-cyclobutan-1-one.
Physical properties about 3-Methyl-3-phenylcyclobutanone are: (1)ACD/LogP: 2.74; (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): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 260; (8)ACD/KOC (pH 7.4): 260; (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: 1.548; (14)Molar Refractivity: 47.635 cm3; (15)Molar Volume: 150.082 cm3; (16)Polarizability: 18.884×10-24 cm3 ; (17)Surface Tension: 39.355 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 104.414 °C; (20)Enthalpy of Vaporization: 49.538 kJ/mol; (21)Boiling Point: 257.803 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(CC(=O)C1)c2ccccc2
(2) InChI: InChI=1/C11H12O/c1-11(7-10(12)8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
(3) InChIKey: NBKYQUHYCYKGAQ-UHFFFAOYAQ