
 3,5-DIHYDROXYBENZOIC ACID

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.6991    1.1916    0.0489 C   0  0  0  0  0
    0.7027    1.1905    0.0334 C   0  0  0  0  0
    1.4000   -0.0229   -0.0050 C   0  0  0  0  0
    0.6941   -1.2212   -0.0277 C   0  0  0  0  0
   -0.6965   -1.2320   -0.0126 C   0  0  0  0  0
   -1.3817   -0.0219    0.0256 C   0  0  0  0  0
   -2.7452   -0.0689    0.0394 O   0  0  0  0  0
    1.4118   -2.3799   -0.0649 O   0  0  0  0  0
    1.4863    2.4480    0.0567 C   0  0  0  0  0
    2.6994    2.5381    0.0456 O   0  0  0  0  0
    0.7078    3.5446    0.0933 O   0  0  0  0  0
   -1.2434    2.1304    0.0787 H   0  0  0  0  0
    2.4874   -0.0379   -0.0174 H   0  0  0  0  0
   -1.2573   -2.1608   -0.0300 H   0  0  0  0  0
   -3.0928    0.8385    0.0663 H   0  0  0  0  0
    0.7941   -3.1302   -0.0772 H   0  0  0  0  0
    1.3530    4.2832    0.1049 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  8 16  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 17  1  0  0  0
M  END

>  <Chemical Name>
3,5-DIHYDROXYBENZOIC ACID

>  <PubChem CID>
7424

>  <Formula>
C7H6O4

>  <Molecular Weight>
154.121000

>  <IUPAC Name>
3,5-dihydroxybenzoic acid

>  <XlogP>
0.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=C(C=C(C=C1O)O)C(=O)O

>  <Isomeric SMILES>
C1=C(C=C(C=C1O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)

>  <InChI Key>
UYEMGAFJOZZIFP-UHFFFAOYSA-N

