Ketcher 02191912182D 1   1.00000     0.00000     0

  9  9  0     0  0            999 V2000
   11.7726  -24.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7726  -25.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6376  -25.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5028  -25.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5028  -24.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6376  -23.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6376  -22.8720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3813  -23.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2412  -24.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
M  END
> <ID>
CHEBI:82288

> <NAME>
o-anisidine

> <DEFINITION>
A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes.

> <STAR>
3

> <SYNONYM>
ortho-anisidine; ortho-aminoanisole; o-methoxyphenylamine; o-methoxyaniline; o-anisylamine; o-anisidine; o-aminoanisole; 2-methoxybenzenamine; 2-methoxyaniline; 2-methoxy-1-aminobenzene; 2-anisidine; 2-aminoanisole; 1-amino-2-methoxybenzene

> <FORMULA>
C7H9NO

> <MASS>
123.155

> <MONOISOTOPIC_MASS>
123.06841

> <CHARGE>
0

> <SMILES>
C1=CC=CC(=C1N)OC

> <INCHI>
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

> <INCHIKEY>
VMPITZXILSNTON-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
386210

> <CAS_REGISTRY_NUMBER>
90-04-0

> <CHEMIDPLUS>
90-04-0

> <KEGG_COMPOUND_ACCESSION>
C19191

> <NIST_CHEMISTRY_WEBBOOK>
90-04-0

> <WIKIPEDIA_ACCESSION>
O-Anisidine

> <PUBMED_CITATION>
21187827; 22403159; 28089782

$$$$