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Cyclohexene,1-(nitromethyl)-

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Name

Cyclohexene,1-(nitromethyl)-

EINECS N/A
CAS No. 5330-61-0 Density 1.072 g/cm3
PSA 45.82000 LogP 2.28670
Solubility N/A Melting Point N/A
Formula C7H11NO2 Boiling Point 206 °C at 760 mmHg
Molecular Weight 141.17 Flash Point 78.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5330-61-0 (1-(NITROMETHYL)CYCLOHEX-1-ENE) Hazard Symbols N/A
Synonyms

1-(Nitromethyl)cyclohex-1-ene;

Article Data 17

Cyclohexene,1-(nitromethyl)- Specification

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

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