-OEChem-05031011042D

 11 11  0     0  0  0  0  0  0999 V2000
    0.2586   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
173250

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000122598

> <PUBCHEM_SUBSTANCE_COMMENT>
Skin / Eye Irritant

> <PUBCHEM_SUBSTANCE_SYNONYM>
122-59-8
4-06-00-00634 (Beilstein Handbook Reference)
AI3-06295
Acetic acid, 2-phenoxy-
Acetic acid, phenoxy-
Acide phenoxyacetique
Acide phenoxyacetique [French]
BRN 0907949
CCRIS 7275
EINECS 204-556-7
FEMA No. 2872
Glycol acid phenyl ether
Glycolic acid phenyl ether
Glycollic acid phenyl ether
NSC 9810
POA
Phenoxyacetic acid
Phenoxyethanoic acid
Phenyl ether glycolic acid
Phenylglycolic acid, O-
UNII-YRC253429Q
o-Phenylglycolic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
122-59-8

> <PUBCHEM_XREF_EXT_ID>
000122598

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000122598

> <PUBCHEM_CID_ASSOCIATIONS>
19188  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$