162640924
  -OEChem-06142410242D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660   -1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    4.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  3  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162640924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
311

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAEAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIwBoAABADIGqBSAAACCAAgIAAIiAEGCMgMJjKENRqCOCCkwBEIqYeIyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-prop-2-ynoxyphenyl)cycloprop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-prop-2-ynoxyphenyl)-1-cycloprop-2-enone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-prop-2-ynoxyphenyl)cycloprop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
2-(4-prop-2-ynoxyphenyl)cycloprop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-prop-2-ynoxyphenyl)cycloprop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-propargyloxyphenyl)cycloprop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8O2/c1-2-7-14-10-5-3-9(4-6-10)11-8-12(11)13/h1,3-6,8H,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
NPMUYJHJORYPSD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
184.052429494

> <PUBCHEM_MOLECULAR_FORMULA>
C12H8O2

> <PUBCHEM_MOLECULAR_WEIGHT>
184.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCOC1=CC=C(C=C1)C2=CC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCOC1=CC=C(C=C1)C2=CC2=O

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.052429494

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  5  8
3  6  8
4  7  8
4  8  8
5  6  8
7  10  8
8  11  8
9  10  8
9  11  8

$$$$
