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CAS No.: | 51907-18-7 |
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Name: | 5,6-Dihydro-[2]pyrindin-7-one |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7NO |
Molecular Weight: | 133.149 |
Synonyms: | 7H-2-Pyrindin-7-one,5,6-dihydro-;5,6-Dihydro-7H-cyclopenta[c]pyridin-7-one; |
Density: | 1.23 g/cm3 |
Boiling Point: | 243.968 °C at 760 mmHg |
Flash Point: | 107.551 °C |
PSA: | 29.96000 |
LogP: | 1.21050 |
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The 7H-Cyclopenta[c]pyridin-7-one,5,6-dihydro-, with the CAS registry number 51907-18-7, has the systematic name of 5,6-dihydro-7H-cyclopenta[c]pyridin-7-one. Its molecular formula is C8H7NO and its molecular weight is 133.149.
Other characteristics of the 7H-Cyclopenta[c]pyridin-7-one,5,6-dihydro- can be summarised as followings: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 71; (8)ACD/KOC (pH 7.4): 74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 36.649 cm3; (15)Molar Volume: 108.246 cm3; (16)Polarizability: 14.529×10-24cm3; (17)Surface Tension: 53.857 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 107.551 °C; (20)Enthalpy of Vaporization: 48.1 kJ/mol; (21)Boiling Point: 243.968 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2CCc1ccncc12
2.InChI: InChI=1/C8H7NO/c10-8-2-1-6-3-4-9-5-7(6)8/h3-5H,1-2H2
3.InChIKey: SMHRJUIZCMDUFN-UHFFFAOYAW