9584673
  -OEChem-10101305032D

 26 26  0     0  0  0  0  0  0999 V2000
    2.8660   -3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    2.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9584673

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
240

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIECAAADAqBGCAyAIAQAACgAyBiAAACAAAgBQAIiAAwApgIICKBExCAIAAggAAIiAcAgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-4-(4-chlorophenyl)-3-methyl-but-3-en-2-one oxime

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-4-(4-chlorophenyl)-3-methyl-3-buten-2-one oxime

> <PUBCHEM_IUPAC_NAME>
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methyl-but-3-en-2-ylidene]hydroxylamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-4-(4-chlorophenyl)-3-methyl-but-3-en-2-one oxime

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+

> <PUBCHEM_IUPAC_INCHIKEY>
MHTJEUOFLVQMCL-NJHPPEEMSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
209.060742

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
209.67208

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CC1=CC=C(C=C1)Cl)C(=NO)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C\C1=CC=C(C=C1)Cl)/C(=N/O)/C

> <PUBCHEM_CACTVS_TPSA>
32.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.060742

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  14  8
12  14  8
5  10  8
5  9  8
9  11  8

$$$$