pentane-2,3-dione 2-oxime

Intermediate in the preparation of indole derivatives. pentane-2,3-dione 2-oxime Supplier

1. Names and Identifiers

1.2 Synonyms: 2,3-Pentanedione, 2-oxime; 2-Hydroxyimino-3-pentanone; 2-Isonitroso-3-pentanone; 2-Isonitroso-3-pentanone2-Oximinopentan-3-one; 2-OxiMe 2,3-Pentanedione; 2-Oximinopentan-3-one; Molindone Impurity A; pentane-2,3-dione 2-oxime;

2. Properties

3. Use and Manufacturing

3.1 Usage: Intermediate in the preparation of indole derivatives. pentane-2,3-dione 2-oxime Supplier

4. Computed Properties

Molecular Weight：115.13000g/mol
Molecular Formula：C₅H₉NO₂
Compound Is Canonicalized：True
Exact Mass：0.9
XLogP3-AA：115.063328530
Monoisotopic Mass：115.063328530
Complexity：118
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：49.7
Heavy Atom Count：：8
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAECAAACAyBgAACAAAQAAAoAYAwAAAAAAAAAAAAAAEwAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==