168235
  -OEChem-04232416072D

 26 25  0     0  0  0  0  0  0999 V2000
    1.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699    6.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    6.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699    5.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    5.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    4.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    7.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    8.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    6.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    6.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    8.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    8.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
168235

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
126

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADACBmAAwAIBAAACIAiFSEACCAAAgAAAIiAAAAMgIICKAERCAIAAgkAAIiIcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
prop-2-enamide;styrene

> <PUBCHEM_IUPAC_CAS_NAME>
2-propenamide;styrene

> <PUBCHEM_IUPAC_NAME_MARKUP>
prop-2-enamide;styrene

> <PUBCHEM_IUPAC_NAME>
prop-2-enamide;styrene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethenylbenzene;prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acrylamide;styrene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8.C3H5NO/c1-2-8-6-4-3-5-7-8;1-2-3(4)5/h2-7H,1H2;2H,1H2,(H2,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
KMNONFBDPKFXOA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
175.099714038

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13NO

> <PUBCHEM_MOLECULAR_WEIGHT>
175.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC1=CC=CC=C1.C=CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC1=CC=CC=C1.C=CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
43.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
175.099714038

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  4  8
3  5  8
4  6  8
5  7  8
6  8  8
7  8  8

$$$$