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133-21-1

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Basic Information
CAS No.: 133-21-1
Name: 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol
Article Data: 26
Molecular Structure:
Molecular Structure of 133-21-1 (3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: 4,7-Methanoinden-5-ol,3a,4,5,6,7,7a-hexahydro- (6CI,7CI,8CI);3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol;3a,4,5,6,7,7a-Hexahydro-exo-4,7-methanoinden-5-ol;5-Hydroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene;Cydecanol;
EINECS: 205-099-6
Density: 1.157 g/cm3
Melting Point: 97-98℃
Boiling Point: 245.9 °C at 760 mmHg
Flash Point: 90.2 °C
PSA: 20.23000
LogP: 1.57940
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Specification

The CAS registry number of 4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro- is 133-21-1. Its EINECS registry number is 205-099-6. The systematic name is 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-ol. In addition, the molecular formula is C10H14O and the molecular weight is 150.22. It is also called cydecanol. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.21; (5)ACD/BCF (pH 7.4): 12.21; (6)ACD/KOC (pH 5.5): 208.69; (7)ACD/KOC (pH 7.4): 208.69; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 43.41 cm3; (14)Molar Volume: 129.7 cm3; (15)Polarizability: 17.21 ×10-24cm3; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.157 g/cm3; (18)Flash Point: 90.2 °C; (19)Enthalpy of Vaporization: 56.13 kJ/mol; (20)Boiling Point: 245.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00462 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC3CC1CC3C2\C=C/CC12
(2)InChI: InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2
(3)InChIKey: LDUKQFUHJZHLRC-UHFFFAOYAC