8678
  -OEChem-11232503172D

 27 27  0     0  0  0  0  0  0999 V2000
    4.5981    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  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>
8678

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
144

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAYAAAADATBmAYyBoBiBACAAiBCAACCCAAgIAIYqIAGjIgNJiKEsRuAMCJkwBEKqAew0BAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3,4-dimethoxyphenyl)methylhydrazine

> <PUBCHEM_IUPAC_CAS_NAME>
(3,4-dimethoxyphenyl)methylhydrazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3,4-dimethoxyphenyl)methylhydrazine

> <PUBCHEM_IUPAC_NAME>
(3,4-dimethoxyphenyl)methylhydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3,4-dimethoxyphenyl)methyldiazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
veratrylhydrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N2O2/c1-12-8-4-3-7(6-11-10)5-9(8)13-2/h3-5,11H,6,10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SHPDODKNJXUWPF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.1

> <PUBCHEM_EXACT_MASS>
182.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.22

> <PUBCHEM_SMILES>
COC1=C(C=C(C=C1)CNN)OC

> <PUBCHEM_CONNECTIVITY_SMILES>
COC1=C(C=C(C=C1)CNN)OC

> <PUBCHEM_CACTVS_TPSA>
56.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.105527694

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
5  7  8
5  9  8
7  8  8
8  10  8
9  11  8

$$$$
