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Home> Encyclopedia > Hot Product Listed F   > furan-2,5-dione,prop-2-en-1-ol,styrene
5979-01-1 structure

furan-2,5-dione,prop-2-en-1-ol,styrene

Iupac Name:2-amino-1,5-dihydropteridine-4,6-dione;hydrate
CAS No.:5979-01-1
Molecular Weight:197.154
Molecular Formula:C11H11CL2NO (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
InChkey
GXYCFNCAIXIUMR-UHFFFAOYSA-N
Canonical Smiles
C1=NC2=C(C(=O)N=C(N2)N)NC1=O.O
Properties
Density
1.294
Melting Point
300℃
Flash Point
115.5°C
Safety and Handling
Safety Statements
S24/25
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

Computational chemical data
  • Molecular Weight:197.154g/mol
  • Molecular Formula:C11H11CL2NO
  • Compound Is Canonicalized:True
  • Exact Mass:197.055
  • Monoisotopic Mass:197.055
  • Complexity:392
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:110A^2
  • Heavy Atom Count:14
  • 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: AAADcYBjsAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAHgAQCAAACAjBgAQBAALAAACo ABVxdACAAAEAAAABAACAAECAQAAAACAQAAAAFACAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+41-(71)-858 20 20
  • Fax:+41-(71)-858 20 30
  • Tel:+1-(800)-877-3225
  • Fax:+1-(631)-348-0913
  • Tel:949 419 0288
  • Fax:949 419 0294
  • Tel:302 292 8500
  • Fax:302 292 8520
  • Tel:+32-(14)-57 52 11
  • Fax:+32-(14)-59 26 10
  • Tel:44 1235 832515
  • Fax:44 1235 832000
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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