Substance
  • Substance Name: 1-heptyne
  • Formula: C7H12
  • Molecular Weight: 96.17 g/mol
  • Identifiers:
    • casrn: 628-71-7
    • pubchemId: 12350
    • iupacname: hept-1-yne
    • inchi: InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
    • inchikey: YVXHZKKCZYLQOP-UHFFFAOYSA-N
    • csmiles: CCCCCC#C
    • ismiles: CCCCCC#C
    • wikidataId: Q2173541
    • chemspiderId: 11845
    • dsstoxcmpId: DTXCID5043550
    • ecnumber: 211-051-5
1-heptyne
Systems and Datasets