70016
  CDK     0128212310

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.3644    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  2  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:167428

> <NAME>
2,4-Dimethoxyacetophenone

> <STAR>
2

> <IUPAC_NAME>
1-(2,4-dimethoxyphenyl)ethanone

> <FORMULA>
C10H12O3

> <MASS>
180.203

> <MONOISOTOPIC_MASS>
180.07864

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3

> <INCHIKEY>
VQTDPCRSXHFMOL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
829-20-9

> <CHEMIDPLUS>
829-20-9

$$$$