-
Name
Bicyclo[3.2.0]hept-6-en-3-one
- EINECS
- CAS No. 29474-19-9
- Article Data7
- CAS DataBase
- Density 1.138 g/cm3
- Solubility
- Melting Point
- Formula C7H8O
- Boiling Point 184.1 °C at 760 mmHg
- Molecular Weight 108.1378
- Flash Point 64.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Bicyclo[3.2.0]hept-6-en-3-one Specification
The Bicyclo[3.2.0]hept-6-en-3-one, with the CAS registry number 29474-19-9, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H8O.
The characteristics of Bicyclo[3.2.0]hept-6-en-3-one are as followings: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 30.06 cm3; (9)Molar Volume: 95 cm3; (10)Polarizability: 11.92×10-24cm3; (11)Surface Tension: 40.7 dyne/cm; (12)Density: 1.138 g/cm3; (13)Flash Point: 64.7 °C; (14)Enthalpy of Vaporization: 42.03 kJ/mol; (15)Boiling Point: 184.1 °C at 760 mmHg; (16)Vapour Pressure: 0.747 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CC2\C=C/C2C1
(2)InChI: InChI=1/C7H8O/c8-7-3-5-1-2-6(5)4-7/h1-2,5-6H,3-4H2
(3)InChIKey: UCDBFMIOHSYYTL-UHFFFAOYAZ
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