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(4R)-4-hydroxycyclopent-2-en-1-one

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Name

(4R)-4-hydroxycyclopent-2-en-1-one

EINECS N/A
CAS No. 59995-47-0 Density 1.299 g/cm3
PSA 37.30000 LogP -0.12370
Solubility N/A Melting Point N/A
Formula C5H6O2 Boiling Point 243.7 °C at 760 mmHg
Molecular Weight 98.1014 Flash Point 99.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 59995-47-0 ((4R)-(+)-HYDROXY-2-CYCLOPENTEN-1-ONE) Hazard Symbols N/A
Synonyms

(R)-4-Hydroxy-2-cyclopenten-1-one;(R)-4-Hydroxy-2-cyclopentenone;4(R)-Hydroxy-2-cyclopentenone;2-Cyclopenten-1-one,4-hydroxy-, (R)-;

Article Data 105

(4R)-4-hydroxycyclopent-2-en-1-one Specification

The 2-Cyclopenten-1-one,4-hydroxy-, (4R)- is the organic compound with the formula C5H6O2. It belongs to the product category of Pharmacetical. With the CAS registry number 59995-47-0, its IUPAC name is (4R)-4-hydroxycyclopent-2-en-1-one.

Physical properties of 2-Cyclopenten-1-one,4-hydroxy-, (4R)-: (1)ACD/LogP: -1.49; (2)ACD/LogD (pH 5.5): -1.49; (3)ACD/LogD (pH 7.4): -1.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.68; (7)ACD/KOC (pH 7.4): 3.68; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 24.38 cm3; (13)Molar Volume: 75.4 cm3; (14)Surface Tension: 58 dyne/cm; (15)Density: 1.299 g/cm3; (16)Flash Point: 99.9 °C; (17)Enthalpy of Vaporization: 55.86 kJ/mol; (18)Boiling Point: 243.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00535 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C=CC1=O)O
(2)Isomeric SMILES: C1[C@H](C=CC1=O)O
(3)InChI: InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2/t4-/m0/s1
(4)InChIKey: DHNDDRBMUVFQIZ-BYPYZUCNSA-N

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