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Chloroglyoxime structure
Chloroglyoxime structure

Chloroglyoxime

Iupac Name:4-[3-hydroxypropyl(nitroso)amino]butanoic acid
CAS No.:79448-08-1
Molecular Weight:190.199
1. Names and Identifiers
1.1 Name
Chloroglyoxime
1.2 Synonyms

17019-15-7 17019-20-4 4732-58-5 chloroglyoxime CTK0A8217 CTK0E4904 CTK1D7954 Ethanimidoyl chloride, N-hydroxy-2-(hydroxyimino)-, (E,E)- Ethanimidoyl chloride, N-hydroxy-2-(hydroxyimino)-, (Z,E)- N-[(E)-1-chloro-2-nitroso-ethenyl]hydroxylamine ON=CC(Cl)=NO

1.3 CAS No.
79448-08-1
1.4 CID
187176
1.5 Molecular Formula
C43H86O (isomer)
1.6 Inchi
InChI=1S/C7H14N2O4/c10-6-2-5-9(8-13)4-1-3-7(11)12/h10H,1-6H2,(H,11,12)
1.7 InChkey
GYAOMXMOVMVRHW-UHFFFAOYSA-N
1.8 Canonical Smiles
C(CC(=O)O)CN(CCCO)N=O
1.9 Isomers Smiles
C(CC(=O)O)CN(CCCO)N=O
2. Properties
2.1 Density
1.16
2.2 Boiling Point
448.2°Cat760mmHg
2.3 Refractive Index
1.515
2.4 Flash Point
126°C
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:190.199g/mol
  • Molecular Formula:C43H86O
  • Compound Is Canonicalized:True
  • Exact Mass:190.095
  • Monoisotopic Mass:190.095
  • Complexity:163
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1