Ketcher 09272115502D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
   10.9555   -8.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8215   -7.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   -9.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -9.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -8.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8215   -9.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5535   -7.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4196   -8.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5535   -6.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0895   -7.9633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235   -8.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  5  2  1  0     0  0
  5  4  2  0     0  0
  6  3  2  0     0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  8  7  1  0     0  0
  9  7  2  0     0  0
  1 10  1  0     0  0
 10 11  1  0     0  0
M  END
> <ID>
CHEBI:88458

> <NAME>
3-methoxybenzoic acid

> <DEFINITION>
A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3.

> <STAR>
3

> <SYNONYM>
m-methylsalicylic acid; m-methoxybenzoic acid; m-anisic acid; FEMA 3944; benzoic acid, 3-methoxy-; 3-methoxy-benzoic acid; 3-anisic acid

> <IUPAC_NAME>
3-methoxybenzoic acid

> <FORMULA>
C8H8O3

> <MASS>
152.149

> <MONOISOTOPIC_MASS>
152.04734

> <CHARGE>
0

> <SMILES>
COC1=CC(=CC=C1)C(O)=O

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

> <INCHIKEY>
XHQZJYCNDZAGLW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
586-38-9

> <REAXYS_REGISTRY_NUMBER>
508838

> <CHEMIDPLUS>
586-38-9

> <NIST_CHEMISTRY_WEBBOOK>
586-38-9

> <PUBMED_CITATION>
17391047; 1945881; 19812218; 20851471; 2172923; 21810122; 25659633; 28678284; 30849594; 31759265; 3389815; 34096157; 6313096; 8232288

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