16217443
  -OEChem-06191315202D

 33 33  0     0  0  0  0  0  0999 V2000
    4.5411    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    1.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728    2.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726    3.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913    2.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    1.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9915    3.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16217443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
207

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceJwMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAoGgAAAAAADESggAICAAAABACAACBCAAAAAAAAAAAIAAAAAAABBAAAIQAAAAAAAAAAIAAAAAAIgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_NAME>
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(E)-3-methoxyprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-7H,8H2,1-5H3/b7-6+

> <PUBCHEM_IUPAC_INCHIKEY>
FBAOFKFCKHJXRU-VOTSOKGWSA-N

> <PUBCHEM_EXACT_MASS>
198.142725

> <PUBCHEM_MOLECULAR_FORMULA>
C10H19BO3

> <PUBCHEM_MOLECULAR_WEIGHT>
198.06706

> <PUBCHEM_OPENEYE_CAN_SMILES>
B1(OC(C(O1)(C)C)(C)C)C=CCOC

> <PUBCHEM_OPENEYE_ISO_SMILES>
B1(OC(C(O1)(C)C)(C)C)/C=C/COC

> <PUBCHEM_CACTVS_TPSA>
27.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
198.142725

> <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>
1

> <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

$$$$