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78430-44-1

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Basic Information
CAS No.: 78430-44-1
Name: Octahydropentalene-1,2-diol
Molecular Structure:
Molecular Structure of 78430-44-1 (Octahydropentalene-1,2-diol)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol;Octahydro-1,2-pentalenediol;
EINECS: 278-908-3
Density: 1.216 g/cm3
Melting Point: 49 °C
Boiling Point: 288.4 °C at 760 mmHg
Flash Point: 143 °C
PSA: 40.46000
LogP: 0.52820
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Specification

The Octahydropentalene-1,2-diol, with the CAS registry number 78430-44-1, is also known as Octahydro-1,2-pentalenediol. Its EINECS number is 278-908-3. This chemical's molecular formula is  C8H14O2  and molecular weight is 142.2. What's more, its systematic name is 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol. 

Physical properties of Octahydropentalene-1,2-diol are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 38.12 cm3; (11)Molar Volume: 116.9 cm3; (12)Polarizability: 15.11×10-24 cm3; (13)Surface Tension: 44.7 dyne/cm; (14)Density: 1.216 g/cm3; (15)Flash Point: 143 °C; (16)Enthalpy of Vaporization: 61.22 kJ/mol; (17)Boiling Point: 288.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000261 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OC2CC1CCCC1C2O
(2)InChI: InChI=1/C8H14O2/c9-7-4-5-2-1-3-6(5)8(7)10/h5-10H,1-4H2
(3)InChIKey: RVTNKLDREGTHJJ-UHFFFAOYAM