The 1H-Pyrrole-2-carboxaldehyde,oxime, with the CAS registry number 32597-34-5, is also known as Pyrrole-2-carboxaldoxime. It belongs to the product category of Oxime. This chemical's molecular formula is C5H6N2O and molecular weight is 110.1139. What's more, its systematic name is called (E)-N-Hydroxy-1-(1H-pyrrol-2-yl)methanimine.
Physical properties about 1H-Pyrrole-2-carboxaldehyde,oxime are: (1)ACD/LogP: 0.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.06; (8)ACD/KOC (pH 7.4): 26.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.38 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 29.99 cm3; (15)Molar Volume: 90.8 cm3; (16)Polarizability: 11.89×10-24 cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 112.7 °C; (20)Enthalpy of Vaporization: 52.89 kJ/mol; (21)Boiling Point: 262.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00539 mmHg at 25 °C; (23)Melting Point: 163-166 °C.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O\N=C\c1cccn1
(2) InChI: InChI=1/C5H6N2O/c8-7-4-5-2-1-3-6-5/h1-4,6,8H/b7-4+
(3) InChIKey: BBRQKFAQWZJCJL-QPJJXVBHBJ
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