-
Name
6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL
- EINECS
- CAS No. 88499-85-8
- Article Data16
- CAS DataBase
- Density 1.17g/cm3
- Solubility
- Melting Point 180-181 °C(Solv: water (7732-18-5))
- Formula C8H9NO
- Boiling Point 402.7 °C at 760 mmHg
- Molecular Weight 135.166
- Flash Point 234.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2H-1-Pyrindin-2-one,1,5,6,7-tetrahydro- (6CI,7CI);NSC 150955;6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol;
- PSA 33.12000
- LogP 1.27590
2H-Cyclopenta[b]pyridin-2-one,1,5,6,7-tetrahydro- Specification
The 2H-Cyclopenta[b]pyridin-2-one,1,5,6,7-tetrahydro-, with CAS registry number 88499-85-8, has the systematic name of 1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one. Besides this, it is also called 6,7-Dihydro-5h-cyclopenta[b]pyridin-2-ol. And the chemical formula of this chemical is C8H9NO.
Physical properties of 2H-Cyclopenta[b]pyridin-2-one,1,5,6,7-tetrahydro-: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.15; (8)ACD/KOC (pH 7.4): 18.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 38.13 cm3; (15)Molar Volume: 114.6 cm3; (16)Polarizability: 15.11×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 234.1 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 402.7 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C\C2=C(/N1)CCC2
(2)InChI: InChI=1/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
(3)InChIKey: GXXRRIYKTZNCNC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
(5)Std. InChIKey: GXXRRIYKTZNCNC-UHFFFAOYSA-N
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