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1,2-Cyclopentanediol,(1R,2S)-rel- (5057-98-7)

Identification
Name:1,2-Cyclopentanediol,(1R,2S)-rel-
Synonyms:1,2-Cyclopentanediol,cis- (8CI);1,2-cis-Cyclopentanediol;cis-1,2-Cyclopentanediol;cis-1,2-Dihydroxycyclopentane;meso-1,2-Cyclopentanediol;
CAS:5057-98-7
Molecular Formula: C5H10O2
Molecular Weight: 102.13
InChI: InChI=1/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+
Molecular Structure: (C5H10O2) 1,2-Cyclopentanediol,cis- (8CI);1,2-cis-Cyclopentanediol;cis-1,2-Cyclopentanediol;cis-1,2-Dihydroxyc...
Properties
Melting Point: 24-28 °C(lit.)
Flash Point: 112.7°C
Boiling Point: 108-109 °C20 mm Hg(lit.)
Density:1.235g/cm3
Stability:Stable. Incompatible with strong oxidizing agents.
Refractive index:1.477-1.479
Appearance:colourless liquid or white solid
Specification:

The cis-1,2-Cyclopentanediol with the CAS number 5057-98-7 is also called 1,2-Cyclopentanediol,(1R,2S)-rel-. The IUPAC name is (1S,2R)-cyclopentane-1,2-diol. Its molecular formula is C5H10O2. This chemical belongs to the following product categories: (1)Alcohols; (2)Monomers; (3)Polymer Science; (4)Organic Building Blocks; (5)Oxygen Compounds; (6)Polyols. While using this chemical, you should avoid this chemical contact with skin and eyes.

The properties of the cis-1,2-Cyclopentanediol are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.25; (8)ACD/KOC (pH 7.4): 14.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 26.23 cm3; (15)Molar Volume: 82.6 cm3; (16)Polarizability: 10.4×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 52.65 kJ/mol; (19)Vapour Pressure: 0.0304 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CCC[C@H]1O
(2)InChI: InChI=1/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+
(3)InChIKey: VCVOSERVUCJNPR-SYDPRGILBS

Flash Point: 112.7°C
Storage Temperature: 0-6°C
Safety Data