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53046-97-2

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Basic Information
CAS No.: 53046-97-2
Name: (Z,Z)-3,6-NONADIEN-1-OL
Article Data: 10
Molecular Structure:
Molecular Structure of 53046-97-2 ((Z,Z)-3,6-NONADIEN-1-OL)
Formula: C9H16O
Molecular Weight: 140.225
Synonyms: 3,6-Nonadien-1-ol,(Z,Z)-;(3Z,6Z)-3,6-Nonadien-1-ol;cis,cis-3,6-Nonadien-1-ol;
Density: 0.866 g/cm3
Boiling Point: 214.7 °C at 760 mmHg
Flash Point: 84.6 °C
PSA: 20.23000
LogP: 2.28130
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Specification

The 3,6-Nonadien-1-ol,(3Z,6Z)-, with the CAS registry number 53046-97-2, is also known as (Z,Z)-3,6-Nonadienol. This chemical's molecular formula is C9H16O and molecular weight is 140.22. What's more, both its IUPAC name and systematic name are the same which is called (3Z,6Z)-Nona-3,6-dien-1-ol. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 3,6-Nonadien-1-ol,(3Z,6Z)- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.98; (6)ACD/BCF (pH 7.4): 64.98; (7)ACD/KOC (pH 5.5): 690.59; (8)ACD/KOC (pH 7.4): 690.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 45.39 cm3; (15)Molar Volume: 161.8 cm3; (16)Surface Tension: 30.8 dyne/cm; (17)Density: 0.866 g/cm3; (18)Flash Point: 84.6 °C; (19)Enthalpy of Vaporization: 52.46 kJ/mol; (20)Boiling Point: 214.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0336 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC\C=C/C\C=C/CC
(2) InChI: InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
(3) InChIKey: PICGPEBVZGCYBV-CWWKMNTPBC