70592951
  -OEChem-05092408342D

 26 25  0     0  0  0  0  0  0999 V2000
    0.0000    2.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    7.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    5.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    7.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4675    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    7.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    7.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  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
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70592951

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
128

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIQCAAADAfBmEQwDoBAAgCIAiDSCAACAAAgIAAIiICGCogKJiKDERKAcAAkwBEImAeAwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoacetic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoacetic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoacetic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_NAME>
2-aminoacetic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethanoic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoacetic acid;2-(chloromethyl)phenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H7ClO.C2H5NO2/c8-5-6-3-1-2-4-7(6)9;3-1-2(4)5/h1-4,9H,5H2;1,3H2,(H,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
BWKAWQSPOZPXOS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
217.0505709

> <PUBCHEM_MOLECULAR_FORMULA>
C9H12ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
217.65

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

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

> <PUBCHEM_CACTVS_TPSA>
83.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
217.0505709

> <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>
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>
10  12  8
11  12  8
6  7  8
6  8  8
7  10  8
8  11  8

$$$$