Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(nitromethyl)cyclopentanone |
EINECS | N/A |
CAS No. | 81266-47-9 | Density | 1.202 g/cm3 |
PSA | 62.89000 | LogP | 1.15550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9NO3 | Boiling Point | 279.82 °C at 760 mmHg |
Molecular Weight | 143.142 | Flash Point | 140.959 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(nitromethyl)cyclopentan-1-one; |
Article Data | 5 |
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