CAS No.51937-00-9,Z,E-9,12-TETRADECADIEN-1-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51937-00-9
Name:	Z,E-9,12-TETRADECADIEN-1-OL
Article Data:	11

Formula:	C₁₄H₂₆O
Molecular Weight:	210.36
Synonyms:	9,12-Tetradecadien-1-ol,(Z,E)-;
EINECS:	257-527-6
Density:	0.86 g/cm³
Boiling Point:	310.6 °C at 760 mmHg
Flash Point:	112.3 °C
Appearance:	colorless liquid
PSA:	20.23000
LogP:	4.23180

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Specification

The 9,12-Tetradecadien-1-ol,(9E,12Z)- with CAS registry number of 51937-00-9 is also called 9,12-Tetradecadien-1-ol,(Z,E)-. The IUPAC name is (9E,12Z)-tetradeca-9,12-dien-1-ol. Its EINECS registry number is 257-527-6. In addition, the formula is C₁₄H₂₆O and the molecular weight is 210.3556.

Physical properties about this chemical are: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4848.83; (6)ACD/BCF (pH 7.4): 4848.83; (7)ACD/KOC (pH 5.5): 15127.67; (8)ACD/KOC (pH 7.4): 15127.67; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 68.55 cm³; (15)Molar Volume: 244.3 cm³; (16)Polarizability: 27.17 ×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.86 g/cm³; (19)Flash Point: 112.3 °C; (20)Enthalpy of Vaporization: 63.94 kJ/mol; (21)Boiling Point: 310.6 °C at 760 mmHg; (22)Vapour Pressure: 5.31E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCC/C=C/C\C=C/C
(2)InChI: InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3/b3-2-,6-5+
(3)InChIKey: IHRPKOQVBCPMQH-NDEAWQBTBR