9989308
  -OEChem-05072421032D

 19 19  0     1  0  0  0  0  0999 V2000
    4.5032   -0.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.0178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0032    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -0.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -0.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    1.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3984   -1.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644   -1.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4016   -0.4624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549   -0.2984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    0.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    0.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142   -0.9333    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  ISO  1  19   2
M  END
> <PUBCHEM_COMPOUND_CID>
9989308

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAAgQgAIAAAAAAAAAAAFAAAARAAQAAAQiAAAAIAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
deuterio-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
deuterio-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
deuterio-[(4<I>S</I>)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_NAME>
deuterio-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
deuterio-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
deuterio-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m1/s1/i3D

> <PUBCHEM_IUPAC_INCHIKEY>
YSGPYVWACGYQDJ-HIAPRUKCSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
131.069270923

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10O3

> <PUBCHEM_MOLECULAR_WEIGHT>
131.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(OCC(O1)C=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C(=O)[C@@H]1COC(O1)(C)C

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
131.069270923

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
1

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  9  6

$$$$