Ketcher 08101510412D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   10.1395   -5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0055   -5.7475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1395   -4.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734   -5.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074   -5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8714   -5.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7374   -5.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0     0  0
  2  1  1  0     0  0
  4  1  1  0     0  0
  4  5  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
M  END
> <ID>
CHEBI:41330

> <NAME>
ethyl propionate

> <DEFINITION>
A propanoate ester of ethanol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:87418

> <SYNONYM>
propionic acid ethyl ester; ethyl propanoate; Ethyl n-propionate

> <IUPAC_NAME>
ethyl propanoate

> <FORMULA>
C5H10O2

> <MASS>
102.13170

> <MONOISOTOPIC_MASS>
102.06808

> <CHARGE>
0

> <SMILES>
CCOC(=O)CC

> <INCHI>
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

> <INCHIKEY>
FKRCODPIKNYEAC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
105-37-3

> <REAXYS_REGISTRY_NUMBER>
506287

> <CHEMIDPLUS>
105-37-3

> <NIST_CHEMISTRY_WEBBOOK>
105-37-3

> <PDBECHEM_ACCESSION>
CA1

$$$$