Marvin  12210713562D          

  3  2  0  0  0  0            999 V2000
   -3.7812    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1168    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
M  END
> <ID>
CHEBI:48086

> <NAME>
propyne

> <STAR>
3

> <SYNONYM>
propine; methylacetylene; methyl acetylene; allylene; 1-propyne

> <IUPAC_NAME>
prop-1-yne

> <FORMULA>
C3H4

> <MASS>
40.06386

> <MONOISOTOPIC_MASS>
40.03130

> <CHARGE>
0

> <SMILES>
CC#C

> <INCHI>
InChI=1S/C3H4/c1-3-2/h1H,2H3

> <INCHIKEY>
MWWATHDPGQKSAR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
878138

> <CAS_REGISTRY_NUMBER>
74-99-7

> <CHEMIDPLUS>
74-99-7

> <NIST_CHEMISTRY_WEBBOOK>
74-99-7

$$$$