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CAS No.: | 17160-89-3 |
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Name: | 1-(1-Hydroxy-cyclopentyl)-ethanone |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H12O2 |
Molecular Weight: | 128.171 |
Synonyms: | 1-ACETYLCYCLOPENTANOL;1-Acetyl-1-hydroxycyclopentane;Methyl(1-hydroxycyclopentyl) ketone; |
Density: | 1.11g/cm3 |
Melting Point: | 72-73 °C |
Boiling Point: | 215 °C at 760 mmHg |
Flash Point: | 85.8 °C |
PSA: | 37.30000 |
LogP: | 0.88050 |
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The 1-(1-Hydroxy-cyclopentyl)-ethanone, with CAS registry number 17160-89-3, has the systematic name of 1-(1-hydroxycyclopentyl)ethanone. Besides this, it is also called Ethanone, 1-(1-hydroxycyclopentyl)-. And the chemical formula of this chemical is C7H12O2.
Physical properties of 1-(1-Hydroxy-cyclopentyl)-ethanone: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.32; (8)ACD/KOC (pH 7.4): 30.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 33.75 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 13.38×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 85.8 °C; (20)Enthalpy of Vaporization: 52.49 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C1(O)CCCC1
(2)InChI: InChI=1/C7H12O2/c1-6(8)7(9)4-2-3-5-7/h9H,2-5H2,1H3
(3)InChIKey: PDCCLRAOJRADOX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H12O2/c1-6(8)7(9)4-2-3-5-7/h9H,2-5H2,1H3
(5)Std. InChIKey: PDCCLRAOJRADOX-UHFFFAOYSA-N