11982
  CDK     0602212310

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.9409   -0.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    0.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3824    1.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970   -1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
M  END
> <ID>
CHEBI:173659

> <NAME>
Propyl 2-furoate

> <STAR>
2

> <IUPAC_NAME>
propyl uran-2-carboxylate

> <FORMULA>
C8H10O3

> <MASS>
154.165

> <MONOISOTOPIC_MASS>
154.06299

> <CHARGE>
0

> <SMILES>
O(CCC)C(=O)C=1OC=CC1

> <INCHI>
InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3

> <INCHIKEY>
HSCVIIISAAEVQT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
615-10-1

> <CHEMIDPLUS>
615-10-1

$$$$