44145096
  -OEChem-05072422582D

 47 45  0     0  0  0  0  0  0999 V2000
    3.1350    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0212    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6412    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    5.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    5.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221    5.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5691    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3421    6.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    7.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44145096

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
373

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADACggAICCAAABACIAiDSCAAAAAAAAAAIAAEAAEABBAAAIQACAAAAAAACIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
allyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-2-propenoic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester;2-methyl-2-propenoic acid prop-2-enyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_NAME>
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylacrylic acid allyl ester;2-methylacrylic acid 2-methacryloyloxyethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O4.C7H10O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-4-5-9-7(8)6(2)3/h1,3,5-6H2,2,4H3;4H,1-2,5H2,3H3

> <PUBCHEM_IUPAC_INCHIKEY>
MRFOTSXVCULFDT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
324.15728848

> <PUBCHEM_MOLECULAR_FORMULA>
C17H24O6

> <PUBCHEM_MOLECULAR_WEIGHT>
324.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C(=O)OCCOC(=O)C(=C)C.CC(=C)C(=O)OCC=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)C(=O)OCCOC(=O)C(=C)C.CC(=C)C(=O)OCC=C

> <PUBCHEM_CACTVS_TPSA>
78.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
324.15728848

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$