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52171-85-4
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Basic Information
CAS No.: 52171-85-4
Name: 9-hydroxy-9-norhexahydrocannabinol
Molecular Structure:
Molecular Structure of 52171-85-4 (9-hydroxy-9-norhexahydrocannabinol)
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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    9-hydroxy-9-norhexahydrocannabinol

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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