Ketcher 08171515182D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   13.8123   -5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9463   -4.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0802   -5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0802   -6.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2142   -6.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3482   -6.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3482   -5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2142   -4.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6783   -4.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5443   -5.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6783   -3.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8124   -6.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4104   -4.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2764   -5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  9  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  8  2  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
  1 12  1  0     0  0
 10 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:87513

> <NAME>
ethyl 2-hydroxy-3-phenylpropanoate

> <DEFINITION>
A carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol.

> <STAR>
3

> <SYNONYM>
3-phenyllactic acid ethyl ester

> <IUPAC_NAME>
ethyl 2-hydroxy-3-phenylpropanoate

> <FORMULA>
C11H14O3

> <MASS>
194.22710

> <MONOISOTOPIC_MASS>
194.09429

> <CHARGE>
0

> <SMILES>
CCOC(=O)C(O)Cc1ccccc1

> <INCHI>
InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3

> <INCHIKEY>
HBOGUIFRIAXYNB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
15399-05-0

> <REAXYS_REGISTRY_NUMBER>
2212887

> <CHEMIDPLUS>
15399-05-0

$$$$