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Home> Hot Product Listed S   > STOCK6S-91133
25087-34-7 structure

STOCK6S-91133

Iupac Name:but-1-ene;ethene
CAS No.:25087-34-7
Molecular Formula:C16H17N3O3 (isomer)
Names and Identifiers
Synonyms

AKOS005663953 AKOS032408495 MCULE-7469159714 MOLPORT-008-337-280 MOLPORT-008-354-034 n-[(2e)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3h)-ylidene]-5,6,7,8-tetrahydro-4h-cyclohepta[d][1,2]oxazole-3-carboxamide n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4h,5h,6h,7h,8h-cyclohepta[d][1,2]oxazole-3-carboxamide STK934673 ZINC36359466

Inchi
InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2
InChkey
WXCZUWHSJWOTRV-UHFFFAOYSA-N
Canonical Smiles
CCC=C.C=C
Properties
Melting Point
60 °C
Vapour
2210mmHg at 25°C
Safety and Handling
Safety Statements
WGK Germany 2 RTECS EM9031000
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:g/mol
  • Molecular Formula:C16H17N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:84.094
  • Monoisotopic Mass:84.094
  • Complexity:14
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:6
  • 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: AAADccBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACA ACBCAAAAAAAgAAAIAAAAAAgAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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