Marvin  09260614342D          

  6  6  0  0  0  0            999 V2000
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    0.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  2  1  0  0  0  0
  3  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <ID>
CHEBI:23500

> <NAME>
cyclopropanecarboxylic acid

> <STAR>
3

> <SYNONYM>
cyclopropylcarboxylic acid; carboxycyclopropane

> <IUPAC_NAME>
cyclopropanecarboxylic acid

> <FORMULA>
C4H6O2

> <MASS>
86.08924

> <MONOISOTOPIC_MASS>
86.03678

> <CHARGE>
0

> <SMILES>
OC(=O)C1CC1

> <INCHI>
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)

> <INCHIKEY>
YMGUBTXCNDTFJI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
969839

> <CAS_REGISTRY_NUMBER>
1759-53-1

> <GMELIN_REGISTRY_NUMBER>
2246

> <CHEMIDPLUS>
1759-53-1

> <KEGG_COMPOUND_ACCESSION>
C16267

> <NIST_CHEMISTRY_WEBBOOK>
1759-53-1

$$$$