| Identification | |
| Name: | Butanenitrile, 3-oxo- |
| Synonyms: | Acetoacetonitrile(7CI,8CI);3-Oxobutanenitrile;3-Oxobutyronitrile;Acetylacetonitrile;Cyanoacetone;a-Cyanoacetone; |
| CAS: | 2469-99-0 |
| EINECS: | 219-590-8 |
| Molecular Formula: | C4H5NO |
| Molecular Weight: | 83.09 |
| InChI: | InChI=1/C4H5NO/c1-4(6)2-3-5/h2H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | g/cm3 |
| Refractive index: | 1.397 |
| Specification: |
The 3-Oxobutanenitrile with the cas number 2469-99-0 is also called a-Cyanoacetone. Its EINECS registry number is 219-590-8. The molecular formula of this chemical is C4H5NO. This chemical is a kind of organics. It should be stored in dry and cool environment. Properties Computed from Structure: (1)XLogP3-AA -0.2 ; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 3; (6)Exact Mass: 83.037114; (7)MonoIsotopic Mass: 83.037114; (8)Topological Polar Surface Area: 40.9; (9)Heavy Atom Count: 6; (10)Formal Charge: 0; (11)Complexity: 97.4; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1. You can still convert the following datas into molecular structure: |
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