19360639
  -OEChem-04242411552D

 41 41  0     1  0  0  0  0  0999 V2000
    7.1962    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4400    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
    4.5981   -4.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 C   0  0  3  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
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9400    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
    5.4641   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    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
    2.8660   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    5.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 34  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19360639

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
369

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIyDoAABgCIAqDSCAACCAAkIAAIiAEGCMgNNjaENRqCeSCk4BEKqYeIzKDOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-(3-hydroxybutanoyl)phenoxy]ethyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-2-propenoic acid 2-[4-(3-hydroxy-1-oxobutyl)phenoxy]ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(3-hydroxybutanoyl)phenoxy]ethyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_NAME>
2-[4-(3-hydroxybutanoyl)phenoxy]ethyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(3-oxidanylbutanoyl)phenoxy]ethyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylacrylic acid 2-[4-(3-hydroxybutanoyl)phenoxy]ethyl ester

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

> <PUBCHEM_IUPAC_INCHIKEY>
MEYNFNNXPGIEHX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
292.13107373

> <PUBCHEM_MOLECULAR_FORMULA>
C16H20O5

> <PUBCHEM_MOLECULAR_WEIGHT>
292.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC(=O)C1=CC=C(C=C1)OCCOC(=O)C(=C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC(=O)C1=CC=C(C=C1)OCCOC(=O)C(=C)C)O

> <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>
7  1  3
11  14  8
12  15  8
13  14  8
13  15  8
9  11  8
9  12  8

$$$$