Marvin  06150713132D          

 12 12  0  0  0  0            999 V2000
   -2.2770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480    1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:38537

> <NAME>
metolcarb

> <STAR>
3

> <SYNONYM>
Methylcarbamic acid m-tolyl ester; Metacrate; m-Tolyl N-methylcarbamate; m-Tolyl methylcarbamate; m-Methylphenyl methylcarbamate; m-Cresyl N-methylcarbamate; m-Cresyl methylcarbamate; m-Cresyl ester of N-methylcarbamic acid; Dicresyl N-methylcarbamate; 3-Tolyl N-methylcarbamate; 3-Tolyl methylcarbamate; 3-Methylphenyl N-methylcarbamate

> <IUPAC_NAME>
3-methylphenyl methylcarbamate

> <FORMULA>
C9H11NO2

> <MASS>
165.18918

> <MONOISOTOPIC_MASS>
165.07898

> <CHARGE>
0

> <SMILES>
CNC(=O)Oc1cccc(C)c1

> <INCHI>
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)

> <INCHIKEY>
VOEYXMAFNDNNED-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2045865

> <CAS_REGISTRY_NUMBER>
1129-41-5

> <CHEMIDPLUS>
1129-41-5

> <KEGG_COMPOUND_ACCESSION>
C18747

> <NIST_CHEMISTRY_WEBBOOK>
1129-41-5

$$$$