
 3-acetyl-7-hydroxy-2H-chromen-2-one

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0326   -0.9264    0.8379 C   0  0  0  0  0
    3.0291   -0.4385   -0.1819 C   0  0  0  0  0
    3.4054   -1.1807   -1.0915 O   0  0  0  0  0
    3.5806    0.9434   -0.0541 C   0  0  0  0  0
    4.8115    1.1429   -0.5513 C   0  0  0  0  0
    5.4485    2.4448   -0.4444 C   0  0  0  0  0
    4.7645    3.4759    0.1916 C   0  0  0  0  0
    5.3223    4.7421    0.3400 C   0  0  0  0  0
    6.5964    4.9710   -0.1635 C   0  0  0  0  0
    7.3054    3.9578   -0.8070 C   0  0  0  0  0
    6.7286    2.6907   -0.9477 C   0  0  0  0  0
    7.1265    6.2167   -0.0053 O   0  0  0  0  0
    3.4735    3.2669    0.7093 O   0  0  0  0  0
    2.8304    2.0388    0.5995 C   0  0  0  0  0
    1.6908    1.8863    1.0237 O   0  0  0  0  0
    2.2689   -0.5350    1.8309 H   0  0  0  0  0
    2.0903   -2.0175    0.8981 H   0  0  0  0  0
    1.0218   -0.6388    0.5388 H   0  0  0  0  0
    5.3675    0.3436   -1.0349 H   0  0  0  0  0
    4.7759    5.5361    0.8386 H   0  0  0  0  0
    8.3015    4.1335   -1.2023 H   0  0  0  0  0
    7.2886    1.9049   -1.4499 H   0  0  0  0  0
    8.0129    6.2368   -0.4023 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 14  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
M  END

>  <Chemical Name>
3-acetyl-7-hydroxy-2H-chromen-2-one

>  <PubChem CID>
5392139

>  <Formula>
C11H8O4

>  <Molecular Weight>
204.181000

>  <IUPAC Name>
3-acetyl-7-hydroxychromen-2-one

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

>  <Isomeric SMILES>
CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

>  <InChI Std. ID>
InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3

>  <InChI Key>
BRQZHMHHZLRXOO-UHFFFAOYSA-N

