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| CAS No.: | 92343-46-9 |
|---|---|
| Name: | 5-Hydroxynorbornane 2,6-Lactone |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H10O3 |
| Molecular Weight: | 154.166 |
| Synonyms: | N-hydroxy-5-norbornene-2,3-second imide;2-hydroxy-4-oxatricyclo [4.2.1.03, 7] nonan-5-one;6-hydroxyhexahydro-2H-3,5-methanocyclopenta[b]furan-2-one;2-Hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one; |
| Density: | 1.451 g/cm3 |
| Melting Point: | 156.0 to 160.0 °C |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 174.7 °C |
| Appearance: | Light yellow to white crystal |
| PSA: | 46.53000 |
| LogP: | -0.07130 |
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Specification
The 2-Hydroxy-4-oxa-tricyclo[4.2.1.0]nonan-5-one, with the CAS registry number 92343-46-9, has the IUPAC name of 6-hydroxyhexahydro-2H-3,5-methanocyclopenta[b]furan-2-one. It belongs to the product category of Norbornene Derivatives. And the molecular formula of the chemical is C8H10O3.
The characteristics of 2-Hydroxy-4-oxa-tricyclo[4.2.1.0]nonan-5-one are as followings: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 36.32 cm3; (9)Molar Volume: 106.2 cm3; (10)Polarizability: 14.4×10-24cm3; (11)Surface Tension: 58.8 dyne/cm; (12)Density: 1.451 g/cm3; (13)Flash Point: 174.7 °C; (14)Enthalpy of Vaporization: 70.77 kJ/mol; (15)Boiling Point: 365.2 °C at 760 mmHg; (16)Vapour Pressure: 8.15E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1OC3C2C1CC(C2)C3O
(2)InChI: InChI=1/C8H10O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7,9H,1-2H2
(3)InChIKey: SCDJKGVPVLZLED-UHFFFAOYAW