-
Name
7a-methylhexahydro-4,7-methano-2-benzofuran-1(3H)-one
- EINECS
- CAS No. 2957-90-6
- Article Data2
- CAS DataBase
- Density 1.172 g/cm3
- Solubility
- Melting Point
- Formula C10H14O2
- Boiling Point 276.9 °C at 760 mmHg
- Molecular Weight 166.22
- Flash Point 110.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-methyl-4-oxatricyclo[5.2.1.0~2,6~]decan-3-one
- PSA
- LogP
2-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one Specification
The 2-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one, with the CAS registry number of 133985-88-3, is also known as 2-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one. Its molecular formula is C10H14O2 and molecular weight is 166.217. What's more, its systematic name is 7a-Methylhexahydro-4,7-methano-2-benzofuran-1(3H)-one.
Physical properties about the 2-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 43.95 cm3; (9)Molar Volume: 141.7 cm3; (10)Surface Tension: 40.5 dyne/cm; (11)Density: 1.172 g/cm3; (12)Flash Point: 110.8 °C; (13)Enthalpy of Vaporization: 51.54 kJ/mol; (14)Boiling Point: 276.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00468 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2OCC3C1CCC(C1)C23C
(2) InChI: InChI=1/C10H14O2/c1-10-7-3-2-6(4-7)8(10)5-12-9(10)11/h6-8H,2-5H2,1H3
(3) InChIKey: SIBFGSCVWUMISO-UHFFFAOYAE
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