71721516
  -OEChem-04232418172D

 24 23  0     1  0  0  0  0  0999 V2000
    3.2925    0.9749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5604    0.9749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    3.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032    5.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942    4.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0032    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    4.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431    3.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972    3.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    5.8532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    5.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    3.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2644    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4016    3.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4549    4.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    4.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717    5.1842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    3.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71721516

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
122

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAGAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgIAAAAACBSggMICCAAABAAIAAgQgAIAAAAAAAAAAAFAAAARAAQAAAQiAAAAIAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dichloromethane;(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
dichloromethane;(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
dichloromethane;(4<I>S</I>)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
dichloromethane;(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(chloranyl)methane;(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dichloromethane;(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O3.CH2Cl2/c1-6(2)8-4-5(3-7)9-6;2-1-3/h3,5H,4H2,1-2H3;1H2/t5-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
VSVSWVSWONDGKR-NUBCRITNSA-N

> <PUBCHEM_EXACT_MASS>
214.0163496

> <PUBCHEM_MOLECULAR_FORMULA>
C7H12Cl2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
215.07

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(OC[C@H](O1)C=O)C.C(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
214.0163496

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  11  6

$$$$