3-Methyl-3-phenylcyclobutanone supplier

Name
3-Methyl-3-phenylcyclobutanone
EINECS
CAS No. 151990-53-3
Article Data29
CAS DataBase
Density 1.067 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O
Boiling Point 257.803 °C at 760 mmHg
Molecular Weight 160.216
Flash Point 104.414 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-3-phenylcyclobutan-1-one;
PSA 17.07000
LogP 2.30720

3-Methyl-3-phenylcyclobutanone Specification

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^-24cm³; (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

Product Name

3-Methyl-3-phenylcyclobutanone

3-Methyl-3-phenylcyclobutanone Specification

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