
 3-Hydroxybenzoic acid

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.7955    1.1534    0.0305 C   0  0  0  0  0
    0.5987    1.2459    0.0160 C   0  0  0  0  0
    1.3803    0.0837   -0.0498 C   0  0  0  0  0
    0.7572   -1.1678   -0.1009 C   0  0  0  0  0
   -0.6315   -1.2462   -0.0859 C   0  0  0  0  0
   -1.4136   -0.0968   -0.0206 C   0  0  0  0  0
   -1.1965   -2.4856   -0.1372 O   0  0  0  0  0
    2.8618    0.1321   -0.0676 C   0  0  0  0  0
    3.6095   -0.8259   -0.1234 O   0  0  0  0  0
    3.3428    1.3865   -0.0143 O   0  0  0  0  0
   -1.3977    2.0570    0.0816 H   0  0  0  0  0
    1.0663    2.2271    0.0563 H   0  0  0  0  0
    1.3483   -2.0791   -0.1522 H   0  0  0  0  0
   -2.4982   -0.1538   -0.0087 H   0  0  0  0  0
   -2.1630   -2.3920   -0.1201 H   0  0  0  0  0
    4.3149    1.2619   -0.0335 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 16  1  0  0  0
M  END

>  <Chemical Name>
3-Hydroxybenzoic acid

>  <PubChem CID>
7420

>  <Formula>
C7H6O3

>  <Molecular Weight>
138.122000

>  <IUPAC Name>
3-hydroxybenzoic acid

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

>  <InChI Key>
IJFXRHURBJZNAO-UHFFFAOYSA-N

