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| CAS No.: | 30830-27-4 |
|---|---|
| Name: | 3-(Benzyloxy)cyclobutanone |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | 3-(Benzyloxy)cyclobutanone;AC1Q6ECN;3-(Benzyl-oxy)cyclobutan-1-one;AG-F-02248;TC-069512;FT-0084475;3-Phenylmethoxycyclobutan-1-one; |
| EINECS: | 800-316-6 |
| Density: | 1.119 g/cm3 |
| Boiling Point: | 284.832 °C at 760 mmHg |
| Flash Point: | 126.424 °C |
| PSA: | 26.30000 |
| LogP: | 1.93470 |
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Specification
The Cyclobutanone, 3-(phenylmethoxy)- with CAS registry number of 30830-27-4 is also known as 3-(Benzyloxy)cyclobutanone. The IUPAC name is 3-Phenylmethoxycyclobutan-1-one. In addition, the formula is C11H12O2 and the molecular weight is 176.21.
Physical properties about Cyclobutanone, 3-(phenylmethoxy)- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 125; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 49.695 cm3; (14)Molar Volume: 157.527 cm3; (15)Surface Tension: 40.722 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 126.424 °C; (18)Enthalpy of Vaporization: 52.384 kJ/mol; (19)Boiling Point: 284.832 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(CC1=O)OCC2=CC=CC=C2
2. InChI: InChI=1S/C11H12O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
3. InChIKey: GPPSQLLIFNWNSB-UHFFFAOYSA-N