14223
 OpenBabel05082101102D

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
14223

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
72.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAMCAAAAADhgAYAAAIAAgABAAAAAAAAAAAAAAAQAAAIAAACEAAAAAAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_CAS_NAME>
N,N-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_NAME>
N,N-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-bis(2-hydroxyethyl)nitrous amide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

>  <PUBCHEM_IUPAC_INCHIKEY>
YFCDLVPYFMHRQZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
-1.5

>  <PUBCHEM_EXACT_MASS>
134.069142

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H10N2O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
134.13

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(CO)N(CCO)N=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO)N(CCO)N=O

>  <PUBCHEM_CACTVS_TPSA>
73.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
134.069142

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <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

$$$$
