Ketcher 08201513472D 1   1.00000     0.00000     0

 13 14  0     0  0            999 V2000
    9.5348   -9.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643   -9.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314   -8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8281   -8.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3535  -10.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632  -11.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5016  -11.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2345  -11.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113  -12.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6303  -11.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6495  -13.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7687  -11.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783  -12.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0     0  0
  5  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  6  8  1  0     0  0
  9  7  1  0     0  0
 10  7  2  0     0  0
 11  9  2  0     0  0
 12 10  1  0     0  0
 13 11  1  0     0  0
 13 12  2  0     0  0
M  END
> <ID>
CHEBI:87596

> <NAME>
2-(1-phenylethyl)-1,3-dioxolane

> <DEFINITION>
A dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.

> <STAR>
3

> <SYNONYM>
2-phenylpropanal ethylene acetal

> <IUPAC_NAME>
2-(1-phenylethyl)-1,3-dioxolane

> <FORMULA>
C11H14O2

> <MASS>
178.22770

> <MONOISOTOPIC_MASS>
178.09938

> <CHARGE>
0

> <SMILES>
CC(C1OCCO1)c1ccccc1

> <INCHI>
InChI=1S/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

> <INCHIKEY>
SATZAQAJSHXNSJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4362-22-5

> <REAXYS_REGISTRY_NUMBER>
124019

> <CHEMIDPLUS>
4362-22-5

$$$$