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CAS No.: | 2625-41-4 |
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Name: | nitro cyclobutane |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H7NO2 |
Molecular Weight: | 101.105 |
Synonyms: | Nitro cyclobutane; |
Density: | 1.13 g/cm3 |
Boiling Point: | 159.1 °C at 760 mmHg |
Flash Point: | 61.7 °C |
PSA: | 45.82000 |
LogP: | 1.33880 |
The Nitrocyclobutane, with the CAS registry number of 2625-41-4, is also known as Nitro cyclobutane. This chemical's molecular formula is C4H7NO2 and molecular weight is 101.104. What's more, its IUPAC name is Nitrocyclobutane.
Physical properties about Nitrocyclobutane are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2.13; (6)ACD/BCF (pH 7.4): 1.96; (7)ACD/KOC (pH 5.5): 59.81; (8)ACD/KOC (pH 7.4): 55.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 24.53 cm3; (15)Molar Volume: 88.9 cm3; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 61.7 °C; (19)Enthalpy of Vaporization: 39.58 kJ/mol; (20)Boiling Point: 159.1 °C at 760 mmHg; (21)Vapour Pressure: 2.54 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)C1CCC1
(2) InChI: InChI=1/C4H7NO2/c6-5(7)4-2-1-3-4/h4H,1-3H2
(3) InChIKey: IPVBXZMWDWJWHR-UHFFFAOYAC