
 3-hydroxy-5-methylbenzoic acid

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.9669   -0.0165   -0.0354 C   0  0  0  0  0
    2.4663    0.0107   -0.0177 C   0  0  0  0  0
    3.1438    1.2358   -0.0180 C   0  0  0  0  0
    4.5348    1.2675    0.0123 C   0  0  0  0  0
    5.2788    0.0927    0.0473 C   0  0  0  0  0
    4.6124   -1.1381    0.0540 C   0  0  0  0  0
    3.2096   -1.1763    0.0244 C   0  0  0  0  0
    5.3464   -2.4252    0.0932 C   0  0  0  0  0
    4.8463   -3.5343    0.1024 O   0  0  0  0  0
    6.6816   -2.2646    0.1185 O   0  0  0  0  0
    5.1395    2.4903    0.0079 O   0  0  0  0  0
    0.5859   -1.0341   -0.1717 H   0  0  0  0  0
    0.5860    0.5927   -0.8617 H   0  0  0  0  0
    0.5731    0.3716    0.9094 H   0  0  0  0  0
    2.5903    2.1716   -0.0420 H   0  0  0  0  0
    6.3633    0.1268    0.0706 H   0  0  0  0  0
    2.6982   -2.1383    0.0332 H   0  0  0  0  0
    7.0250   -3.1820    0.1420 H   0  0  0  0  0
    6.1027    2.3655    0.0317 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
M  END

>  <Chemical Name>
3-hydroxy-5-methylbenzoic acid

>  <PubChem CID>
231756

>  <Formula>
C8H8O3

>  <Molecular Weight>
152.149000

>  <IUPAC Name>
3-hydroxy-5-methylbenzoic acid

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(=O)O)O

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)

>  <InChI Key>
CFXOUQXGRQXUSE-UHFFFAOYSA-N

