8469
  CDK     0602212311

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.9520    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    1.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 10 13  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:173922

> <NAME>
Ethyl phenylglycidate

> <STAR>
2

> <IUPAC_NAME>
ethyl 3-phenyloxirane-2-carboxylate

> <FORMULA>
C11H12O3

> <MASS>
192.214

> <MONOISOTOPIC_MASS>
192.07864

> <CHARGE>
0

> <SMILES>
O1C(C1C(OCC)=O)C2=CC=CC=C2

> <INCHI>
InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

> <INCHIKEY>
GOMAKLPNAAZVCJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
121-39-1

> <CHEMIDPLUS>
121-39-1

$$$$