-
Name
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
- EINECS
- CAS No. 693248-53-2
- Article Data1
- CAS DataBase
- Density 1.411 g/cm3
- Solubility
- Melting Point
- Formula C6H8O3
- Boiling Point 281.2 °C at 760 mmHg
- Molecular Weight 128.1259
- Flash Point 126.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
- PSA 46.53000
- LogP -0.03660
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid Specification
The CAS registry number of 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid is 693248-53-2. This chemical's molecular formula is C6H8O3 and molecular weight is 128.1259. What's more, its systematic name is also called 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid.
Physical properties about 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.53 Å2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 28.82 cm3; (12)Molar Volume: 90.7 cm3; (13)Polarizability: 11.42×10-24 cm3; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.411 g/cm3; (16)Flash Point: 126.5 °C; (17)Enthalpy of Vaporization: 57.22 kJ/mol; (18)Boiling Point: 281.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000953 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1C2COCC12
(2) InChI: InChI=1/C6H8O3/c7-6(8)5-3-1-9-2-4(3)5/h3-5H,1-2H2,(H,7,8)
(3) InChIKey: JVRUZPDYVLRYQT-UHFFFAOYAP
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