CAS No.88499-85-8,6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88499-85-8
Name:	6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL
Article Data:	16
Cas Database

Formula:	C₈H₉NO
Molecular Weight:	135.166
Synonyms:	2H-1-Pyrindin-2-one,1,5,6,7-tetrahydro- (6CI,7CI);NSC 150955;6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol;
Density:	1.17g/cm³
Melting Point:	180-181 °C(Solv: water (7732-18-5))
Boiling Point:	402.7 °C at 760 mmHg
Flash Point:	234.1 °C
PSA:	33.12000
LogP:	1.27590

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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