ChEBI


  2  1  0  0  0  0  0  0  0  0  1 V2000
    8.7091   -5.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0391   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
M  END
> <ID>
CHEBI:27518

> <NAME>
acetylene

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22199; CHEBI:42285; CHEBI:2419

> <SYNONYM>
vinylene; Narcylen; HCCH; HC#CH; ethyne; Ethyne; Ethin; CH#CH; C2H2; Azetylen; acetylene; acetylene; Acetylene; Acetylen; [CH(CH)]

> <IUPAC_NAME>
ethyne; acetylene

> <FORMULA>
C2H2

> <MASS>
26.03728

> <MONOISOTOPIC_MASS>
26.01565

> <CHARGE>
0

> <SMILES>
C#C

> <INCHI>
InChI=1S/C2H2/c1-2/h1-2H

> <INCHIKEY>
HSFWRNGVRCDJHI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
906677

> <CAS_REGISTRY_NUMBER>
74-86-2

> <GMELIN_REGISTRY_NUMBER>
210

> <CHEMIDPLUS>
74-86-2

> <KEGG_COMPOUND_ACCESSION>
C01548

> <MOLBASE_ACCESSION>
936

> <NIST_CHEMISTRY_WEBBOOK>
74-86-2

$$$$