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CAS No.: | 5330-61-0 |
---|---|
Name: | 1-(NITROMETHYL)CYCLOHEX-1-ENE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H11NO2 |
Molecular Weight: | 141.17 |
Synonyms: | 1-(Nitromethyl)cyclohex-1-ene; |
Density: | 1.072 g/cm3 |
Boiling Point: | 206 °C at 760 mmHg |
Flash Point: | 78.5 °C |
PSA: | 45.82000 |
LogP: | 2.28670 |
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The Cyclohexene,1-(nitromethyl)-, with the CAS registry number 5330-61-0, is also known as 1-(Nitromethyl)cyclohex-1-ene. This chemical's molecular formula is C7H11NO2 and molecular weight is 141.1677. What's more, both its IUPAC name and systematic name are the same which is called 1-(Nitromethyl)cyclohexene.
Physical properties about Cyclohexene,1-(nitromethyl)- are: (1)ACD/LogP: 2.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.77; (6)ACD/BCF (pH 7.4): 37.28; (7)ACD/KOC (pH 5.5): 468.31; (8)ACD/KOC (pH 7.4): 462.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 37.98 cm3; (15)Molar Volume: 131.5 cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 1.072 g/cm3; (18)Flash Point: 78.5 °C; (19)Enthalpy of Vaporization: 44.23 kJ/mol; (20)Boiling Point: 206 °C at 760 mmHg; (21)Vapour Pressure: 0.242 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])C/C1=C/CCCC1
(2) InChI: InChI=1/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
(3) InChIKey: KEELANLBFIOZSH-UHFFFAOYAS