
 2-Acetylnaphthalene

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9610   -0.1022   -0.1659 C   0  0  0  0  0
    2.4670   -0.1084   -0.1475 C   0  0  0  0  0
    3.0969   -1.1651   -0.1511 O   0  0  0  0  0
    3.1981    1.1936   -0.1230 C   0  0  0  0  0
    2.5319    2.4229   -0.0335 C   0  0  0  0  0
    3.2515    3.6316   -0.0155 C   0  0  0  0  0
    2.5972    4.8713    0.0735 C   0  0  0  0  0
    3.3235    6.0632    0.0892 C   0  0  0  0  0
    4.7128    6.0325    0.0168 C   0  0  0  0  0
    5.3796    4.8099   -0.0710 C   0  0  0  0  0
    4.6638    3.6018   -0.0876 C   0  0  0  0  0
    5.3212    2.3664   -0.1742 C   0  0  0  0  0
    4.5952    1.1736   -0.1906 C   0  0  0  0  0
    0.5931    0.4640   -1.0258 H   0  0  0  0  0
    0.5737    0.3103    0.7690 H   0  0  0  0  0
    0.5989   -1.1303   -0.2626 H   0  0  0  0  0
    1.4481    2.4622    0.0261 H   0  0  0  0  0
    1.5122    4.9201    0.1311 H   0  0  0  0  0
    2.8039    7.0153    0.1580 H   0  0  0  0  0
    5.2795    6.9599    0.0286 H   0  0  0  0  0
    6.4663    4.8065   -0.1263 H   0  0  0  0  0
    6.4068    2.3210   -0.2294 H   0  0  0  0  0
    5.1285    0.2271   -0.2581 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  9  2  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
 10 11  2  0  0  0
 10 21  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
M  END

>  <Chemical Name>
2-Acetylnaphthalene

>  <PubChem CID>
7122

>  <Formula>
C12H10O

>  <Molecular Weight>
170.211000

>  <IUPAC Name>
1-naphthalen-2-ylethanone

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=O)C1=CC2=CC=CC=C2C=C1

>  <Isomeric SMILES>
CC(=O)C1=CC2=CC=CC=C2C=C1

>  <InChI Std. ID>
InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

>  <InChI Key>
XSAYZAUNJMRRIR-UHFFFAOYSA-N

