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| CAS No.: | 52171-85-4 |
|---|---|
| Name: | 9-hydroxy-9-norhexahydrocannabinol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C20H30O3 |
| Molecular Weight: | 318.456 |
| Synonyms: | (-)-9-Nor-9-hydroxyhexahydrocannabinol;9-Nor-9-hydroxyhexahydrocannabinol; |
| Density: | 1.077 g/cm3 |
| Boiling Point: | 418.7 °C at 760 mmHg |
| Flash Point: | 207 °C |
| PSA: | 49.69000 |
| LogP: | 4.54050 |
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- Total:2 Page 1 of 1 1
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Specification
The 9-Hydroxy-9-norhexahydrocannabinol, with the CAS registry number 52171-85-4, is also known as 9-Nor-9-hydroxyhexahydrocannabinol. This chemical's molecular formula is C20H30O3 and molecular weight is 318.4504. Its IUPAC name is called 6,6-dimethyl-3-pentyl-6alpha,7,8,9,10,10alpha-hexahydrobenzo[c]chromene-1,9-diol.
Physical properties of 9-Hydroxy-9-norhexahydrocannabinol: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.51; (5)ACD/BCF (pH 5.5): 9164.25; (6)ACD/BCF (pH 7.4): 9134.38; (7)ACD/KOC (pH 5.5): 23859.07; (8)ACD/KOC (pH 7.4): 23781.32; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 92.77 cm3; (14)Molar Volume: 295.4 cm3; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.077 g/cm3; (17)Flash Point: 207 °C; (18)Enthalpy of Vaporization: 70.88 kJ/mol; (19)Boiling Point: 418.7 °C at 760 mmHg; (20)Vapour Pressure: 9.24E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC2=C(C3CC(CCC3C(O2)(C)C)O)C(=C1)O
(2)InChI: InChI=1S/C20H30O3/c1-4-5-6-7-13-10-17(22)19-15-12-14(21)8-9-16(15)20(2,3)23-18(19)11-13/h10-11,14-16,21-22H,4-9,12H2,1-3H3
(3)InChIKey: AAIHVZNCFQTVCA-UHFFFAOYSA-N