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84567-08-8

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Basic Information
CAS No.: 84567-08-8
Name: 4-Hydroxycephalotaxine
Molecular Structure:
Molecular Structure of 84567-08-8 (4-Hydroxycephalotaxine)
Formula: C18H21NO5
Molecular Weight: 331.36304
Synonyms: 4-Hydroxycephalotaxine;
Density: 1.47 g/cm3
Boiling Point: 533.3 °C at 760 mmHg
Flash Point: 276.3 °C
PSA: 71.39000
LogP: 0.83630
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Specification

The Cephalotaxine,4-hydroxy- (9CI), also known as AC1L4KE3, is an organic compound with the formula C18H21NO5. With the CAS registry number 84567-08-8, its systematic name is 4-hydroxycephalotaxine.

Physical properties of Cephalotaxine,4-hydroxy- (9CI): (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 1.63; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 7.77; (5)ACD/BCF (pH 7.4): 24.05; (6)ACD/KOC (pH 5.5): 108.66; (7)ACD/KOC (pH 7.4): 336.37; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.691; (12)Molar Refractivity: 85.98 cm3; (13)Molar Volume: 224.4 cm3; (14)Surface Tension: 73.3 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 276.3 °C; (17)Enthalpy of Vaporization: 85.18 kJ/mol; (18)Boiling Point: 533.3 °C at 760 mmHg; (19)Vapour Pressure: 3.34E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC23CCCN2CCC4=CC5=C(C=C4C3(C1O)O)OCO5
(2)InChI: InChI=1S/C18H21NO5/c1-22-15-9-17-4-2-5-19(17)6-3-11-7-13-14(24-10-23-13)8-12(11)18(17,21)16(15)20/h7-9,16,20-21H,2-6,10H2,1H3
(3)InChIKey: MVSKPPYUIBULOR-UHFFFAOYSA-N