Ketcher 07211513202D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
   19.0083   -6.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8121   -7.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4102   -6.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2762   -7.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5442   -6.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4102   -8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1422   -6.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2762   -6.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5442   -7.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1423   -5.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781   -8.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0     0  0
  2 11  1  0     0  0
  3  5  1  0     0  0
  3  8  2  0     0  0
  4  6  2  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  6  9  1  0     0  0
  7  8  1  0     0  0
  7 10  2  0     0  0
  9 11  1  0     0  0
M  END
> <ID>
CHEBI:86567

> <NAME>
4-methoxyacetophenone

> <DEFINITION>
A member of the class of  acetophenones that is acetophenone substituted by a methoxy group at position 4.

> <STAR>
3

> <SYNONYM>
acetanisole; 4-methoxyphenyl methyl ketone; 4-acetylanisole

> <IUPAC_NAME>
1-(4-methoxyphenyl)ethan-1-one

> <FORMULA>
C9H10O2

> <MASS>
150.17450

> <MONOISOTOPIC_MASS>
150.06808

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)C(C)=O

> <INCHI>
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

> <INCHIKEY>
NTPLXRHDUXRPNE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
100-06-1

> <REAXYS_REGISTRY_NUMBER>
742313

> <CHEMIDPLUS>
100-06-1

> <NIST_CHEMISTRY_WEBBOOK>
100-06-1

> <PUBMED_CITATION>
26044365

$$$$