76623
  CDK     0602212310

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.0930    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.9842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 11  2  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
M  CHG  1   3  -1
M  CHG  1   5   1
M  END
> <ID>
CHEBI:173661

> <NAME>
2,4-Dihydroxy-nitrophenol

> <STAR>
2

> <IUPAC_NAME>
4-nitrobenzene-1,3-diol

> <FORMULA>
C6H5NO4

> <MASS>
155.109

> <MONOISOTOPIC_MASS>
155.02186

> <CHARGE>
0

> <SMILES>
OC1=C([N+]([O-])=O)C=CC(O)=C1

> <INCHI>
InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H

> <INCHIKEY>
CYEZXDVLBGFROE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3163-07-3

> <CHEMIDPLUS>
3163-07-3

$$$$