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Home> Encyclopedia > Hot Product Listed 6   > 6-Azaspiro[2.5]octane-5,7-dione
590-29-4 structure

6-Azaspiro[2.5]octane-5,7-dione

Iupac Name:potassium;formate
CAS No.:590-29-4
Molecular Weight:84.115
Molecular Formula:C13H21NO4S (isomer)
Names and Identifiers
Synonyms

1,1-Cyclopropanediacetimide(7CI,8CI) 6-aza-spiro[2.5]octane-5,7-dione AK203992 AKOS027253855 CTK0H7642 DTXSID10701551 SCHEMBL19585725

Inchi
InChI=1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
InChkey
WFIZEGIEIOHZCP-UHFFFAOYSA-M
Canonical Smiles
C(=O)[O-].[K+]
Properties
Density
1.322
Melting Point
165-168℃
Boiling Point
422.5°Cat760mmHg
HS Code
2915120000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:84.115g/mol
  • Molecular Formula:C13H21NO4S
  • Compound Is Canonicalized:True
  • Exact Mass:83.961
  • Monoisotopic Mass:83.961
  • Complexity:13.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1A^2
  • Heavy Atom Count:4
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcQAAMAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAAAAAAAAAAAAMACAAAAAAI AAAAiAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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