Marvin  05020721562D          

 13 14  0  0  0  0            999 V2000
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    0.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  8  7  1  0  0  0  0
  1  8  2  0  0  0  0
  9  8  1  0  0  0  0
  4  9  2  0  0  0  0
  3  4  1  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
> <ID>
CHEBI:36106

> <NAME>
2-naphthoic acid

> <DEFINITION>
A naphthoic acid that is naphthalene carrying a carboxy group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:34299; CHEBI:19725; CHEBI:30900

> <SYNONYM>
isonaphthoic acid; beta-Naphthoic acid; beta-naphthoic acid; 2-Naphthoic acid; 2-Naphthalenecarboxylic acid; 2-naphthalenecarboxylic acid

> <IUPAC_NAME>
naphthalene-2-carboxylic acid

> <FORMULA>
C11H8O2

> <MASS>
172.18002

> <MONOISOTOPIC_MASS>
172.05243

> <CHARGE>
0

> <SMILES>
OC(=O)c1ccc2ccccc2c1

> <INCHI>
InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

> <INCHIKEY>
UOBYKYZJUGYBDK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
972039

> <CAS_REGISTRY_NUMBER>
93-09-4

> <GMELIN_REGISTRY_NUMBER>
185326

> <REAXYS_REGISTRY_NUMBER>
972039

> <CHEMIDPLUS>
93-09-4

> <KEGG_COMPOUND_ACCESSION>
C14101

> <NIST_CHEMISTRY_WEBBOOK>
93-09-4

> <PUBMED_CITATION>
19005807; 19712381

$$$$