Mrv0541 02071409522D          

 10 10  0  0  0  0            999 V2000
   -0.4049    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193   -0.3300    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3096   -0.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049    0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8338    0.0825    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0240    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240    0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7385    1.3198    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  3   2   1   6  -1  10  -1
M  END
> <ID>
CHEBI:57917

> <NAME>
4-nitrophenolate

> <DEFINITION>
A phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
p-nitrophenolate(1-); p-nitrophenolate ion; p-nitrophenolate anion; p-nitrophenolate; 4-nitrophenolate(1-); 4-nitrophenolate anion; 4-nitrophenol; 4-nitrobenzen-1-olate

> <IUPAC_NAME>
4-nitrophenolate

> <FORMULA>
C6H4NO3

> <MASS>
138.10140

> <MONOISOTOPIC_MASS>
138.01967

> <CHARGE>
-1

> <SMILES>
[O-]c1ccc(cc1)[N+]([O-])=O

> <INCHI>
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1

> <INCHIKEY>
BTJIUGUIPKRLHP-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3589511

> <GMELIN_REGISTRY_NUMBER>
3310

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