70672880
  -OEChem-04252400202D

 41 41  0     1  0  0  0  0  0999 V2000
    5.4641   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  4 20  1  0  0  0  0
  4 41  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 35  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70672880

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQSgmAIyDoAABgCIAiDSCAACCAAkIAAIiAEGCMgMJjKENRqCeSClwBEIuYeI7CzOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-(prop-2-enoyloxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(1-oxoprop-2-enoxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(prop-2-enoyloxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_NAME>
4-[2-(prop-2-enoyloxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-(prop-2-enoyloxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-(acryloyloxymethyl)pentoxy]benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H20O5/c1-3-5-12(11-21-15(17)4-2)10-20-14-8-6-13(7-9-14)16(18)19/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
YDQZSFHAQVQNLN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
292.13107373

> <PUBCHEM_MOLECULAR_FORMULA>
C16H20O5

> <PUBCHEM_MOLECULAR_WEIGHT>
292.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC(COC1=CC=C(C=C1)C(=O)O)COC(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC(COC1=CC=C(C=C1)C(=O)O)COC(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
72.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.13107373

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  13  8
12  14  8
13  16  8
14  17  8
16  18  8
17  18  8
6  7  3

$$$$