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CAS No.: | 81266-47-9 |
---|---|
Name: | 3-(nitromethyl)cyclopentanone |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H9NO3 |
Molecular Weight: | 143.142 |
Synonyms: | 3-(nitromethyl)cyclopentan-1-one; |
Density: | 1.202 g/cm3 |
Boiling Point: | 279.82 °C at 760 mmHg |
Flash Point: | 140.959 °C |
PSA: | 62.89000 |
LogP: | 1.15550 |
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This chemical is called 3-(nitromethyl)cyclopentanone, and its CAS registry number is 81266-47-9. With the molecular formula of C6H9NO3, its molecular weight is 143.14.
Other characteristics of the 3-(nitromethyl)cyclopentanone can be summarised as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.89 Å2; (7)Index of Refraction: 1.481; (8)Molar Refractivity: 33.906 cm3; (9)Molar Volume: 119.057 cm3; (10)Polarizability: 13.441×10-24cm3; (11)Surface Tension: 41.772 dyne/cm; (12)Density: 1.202 g/cm3; (13)Flash Point: 140.959 °C; (14)Enthalpy of Vaporization: 51.852 kJ/mol; (15)Boiling Point: 279.82 °C at 760 mmHg; (16)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1CC(C[N+](=O)[O-])CC1
2.InChI: InChI=1/C6H9NO3/c8-6-2-1-5(3-6)4-7(9)10/h5H,1-4H2
3.InChIKey: OXUCMXDWKATUHP-UHFFFAOYAN