Ketcher 07271514012D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
    9.7880   -6.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8503   -4.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3862   -4.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2522   -6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5201   -5.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3862   -6.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2522   -5.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5201   -6.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1182   -4.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1182   -3.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6541   -6.7860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9843   -5.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0     0  0
  2 12  1  0     0  0
  3  5  1  0     0  0
  3  7  2  0     0  0
  4  6  2  0     0  0
  4  7  1  0     0  0
  5  8  2  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  8 11  1  0     0  0
  9 10  2  0     0  0
  9 12  1  0     0  0
M  END
> <ID>
CHEBI:86903

> <NAME>
methyl p-anisate

> <DEFINITION>
A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol.

> <STAR>
3

> <SYNONYM>
p-Methoxybenzoic acid methyl ester; methyl 4-anisate; Methyl 4-anisate; 4-methoxy methylbenzoate

> <IUPAC_NAME>
methyl 4-methoxybenzoate

> <FORMULA>
C9H10O3

> <MASS>
166.17390

> <MONOISOTOPIC_MASS>
166.06299

> <CHARGE>
0

> <SMILES>
COC(=O)c1ccc(OC)cc1

> <INCHI>
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3

> <INCHIKEY>
DDIZAANNODHTRB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
121-98-2

> <REAXYS_REGISTRY_NUMBER>
2208571

> <CHEMIDPLUS>
121-98-2

> <NIST_CHEMISTRY_WEBBOOK>
121-98-2

$$$$