54758533
  -OEChem-04242418132D

 33 33  0     0  0  0  0  0  0999 V2000
    3.7320   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54758533

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
208

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAUCAAADAShmAIyBoBQBACIAiFSEAACCAAgIAAoiAEGCIgMJjKEtRuCOCCk0BEIqAeY3LDOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-butoxyphenyl)ethanehydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-butoxyphenyl)-N-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-butoxyphenyl)-<I>N</I>-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME>
2-(3-butoxyphenyl)-N-hydroxyacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-butoxyphenyl)-N-oxidanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-butoxyphenyl)ethanehydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17NO3/c1-2-3-7-16-11-6-4-5-10(8-11)9-12(14)13-15/h4-6,8,15H,2-3,7,9H2,1H3,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
WRRCDZYAJXERQT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
223.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
223.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCOC1=CC=CC(=C1)CC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCOC1=CC=CC(=C1)CC(=O)NO

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
223.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  15  8
8  10  8
8  13  8
9  10  8
9  14  8

$$$$