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Name |
2-Propenal, oxime (9CI) |
EINECS | N/A |
CAS No. | 5314-33-0 | Density | 0.876 g/cm3 |
PSA | 32.59000 | LogP | 0.63240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H5NO | Boiling Point | 104.638 °C at 760 mmHg |
Molecular Weight | 71.0788 | Flash Point | 30.564 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acrolein,oxime (6CI,7CI,8CI);Acrylaldehyde oxime; |
The 2-Propenal, oxime (9CI), with CAS registry number 5314-33-0, has the systematic name of (1E)-N-hydroxyprop-2-en-1-imine. Besides this, it is also called Acrolein oxime. Its IUPAC name is (NE)-N-prop-2-enylidenehydroxylamine. And the chemical formula of this chemical is C3H5NO.
Physical properties of 2-Propenal, oxime (9CI): (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 53; (8)ACD/KOC (pH 7.4): 53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.59 Å2; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 20.087 cm3; (15)Molar Volume: 81.119 cm3; (16)Polarizability: 7.963×10-24cm3; (17)Surface Tension: 28.895 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 30.564 °C; (20)Enthalpy of Vaporization: 40.06 kJ/mol; (21)Boiling Point: 104.638 °C at 760 mmHg; (22)Vapour Pressure: 16.773 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(/O)=C\C=C
(2)InChI: InChI=1/C3H5NO/c1-2-3-4-5/h2-3,5H,1H2/b4-3+
(3)InChIKey: KMNIXISXZFPRDC-ONEGZZNKBI
(4)Std. InChI: InChI=1S/C3H5NO/c1-2-3-4-5/h2-3,5H,1H2/b4-3+
(5)Std. InChIKey: KMNIXISXZFPRDC-ONEGZZNKSA-N