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61277-90-5

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Basic Information
CAS No.: 61277-90-5
Name: (1S,2R,4R)-BICYCLO[2.2.1]HEPTAN-2-OL
Article Data: 81
Molecular Structure:
Molecular Structure of 61277-90-5 ((1S,2R,4R)-BICYCLO[2.2.1]HEPTAN-2-OL)
Formula: C7H12O
Molecular Weight: 112.172
Synonyms: Bicyclo[2.2.1]heptan-2-ol,(1S-endo)-;(2R)-(+)-endo-2-Norborneol;endo-(+)-2-Norborneol;
Density: 1.098 g/cm3
Melting Point: 149-154 ºC
Boiling Point: 176.499 °C at 760 mmHg
Flash Point: 74.376 °C
Appearance: white crystals
Risk Codes: 24/25
Safety: 24/25
PSA: 20.23000
LogP: 1.16730
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Specification

The Bicyclo[2.2.1]heptan-2-ol,(1S,2R,4R)-, with the CAS registry number 61277-90-5, is also known as endo-2-Norbornanol. It belongs to the product categories of Alcohols; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C7H12O and molecular weight is 112.17.  What's more, its systematic name is (1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol. Besides, it is white crystals. In additinn, we should avoid skin and eyes contact with this chemical.

Physical properties about Bicyclo[2.2.1]heptan-2-ol,(1S,2R,4R)- 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-/m1/s1
(3) InChIKey: ZQTYQMYDIHMKQB-DSYKOEDSBP