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36779-79-0

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Basic Information
CAS No.: 36779-79-0
Name: (+)-ENDO-2-NORBORNEOL
Article Data: 80
Molecular Structure:
Molecular Structure of 36779-79-0 ((+)-ENDO-2-NORBORNEOL)
Formula: C7H12O
Molecular Weight: 112.172
Synonyms: endo-(-)-2-Norborneol;(-)-endo-2-Norborneol;Bicyclo[2.2.1]heptan-2-ol,(1R-endo)-;
Density: 1.098 g/cm3
Melting Point: 148-150℃
Boiling Point: 176.499 °C at 760 mmHg
Flash Point: 74.376 °C
PSA: 20.23000
LogP: 1.16730
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Specification

The Bicyclo[2.2.1]heptan-2-ol,(1R,2S,4S)-, with the CAS registry number 36779-79-0, is also known as rel-(1R,2S,4S)-Bicyclo[2.2.1]heptan-2-ol. This chemical's molecular formula is C7H12O and molecular weight is 112.1696. What's more, its systematic name is (1R,2S,4S)-Bicyclo[2.2.1]heptan-2-ol.

Physical properties about Bicyclo[2.2.1]heptan-2-ol,(1R,2S,4S)- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 106; (8)ACD/KOC (pH 7.4): 106; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 31.925 cm3; (15)Molar Volume: 102.2 cm3; (16)Polarizability: 12.656×10-24cm3; (17)Surface Tension: 39.207 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 74.376 °C; (20)Enthalpy of Vaporization: 48.058 kJ/mol; (21)Boiling Point: 176.499 °C at 760 mmHg; (22)Vapour Pressure: 0.332 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]2C[C@H]1CC[C@@H]2C1
(2) InChI: InChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7-/m0/s1
(3) InChIKey: ZQTYQMYDIHMKQB-XVMARJQXBK