-OEChem-03261012002D

  7  6  0     0  0  0  0  0  0999 V2000
   -1.4964    3.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601   -0.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    0.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4965    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -3.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601   -0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24900147

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
T35203_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
T35203_ALDRICH
Tiglic acid
trans-2,3-Dimethylacrylic acid
trans-2-Methyl-2-butenoic acid

> <PUBCHEM_XREF_EXT_ID>
T35203_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/T35203?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
125468  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$