69201
  CDK     1019221600

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.0789    0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -1.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -1.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  9  2  0  0  0  0 
  5  8  1  0  0  0  0 
  7 10  2  0  0  0  0 
M  END
> <ID>
CHEBI:193961

> <NAME>
Ethyl 3-furoate

> <STAR>
2

> <IUPAC_NAME>
ethyl uran-3-carboxylate

> <FORMULA>
C7H8O3

> <MASS>
140.138

> <MONOISOTOPIC_MASS>
140.04734

> <CHARGE>
0

> <SMILES>
O(CC)C(=O)C=1C=COC1

> <INCHI>
InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3

> <INCHIKEY>
LOFDXZJSDVCYAS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
614-98-2

> <CHEMIDPLUS>
614-98-2

$$$$