7924
  -OEChem-05231303192D

 13 13  0     1  0  0  0  0  0999 V2000
    3.7601   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021   -1.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   -1.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -0.6822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117    0.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
88.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAAAACAAAAAAAAAAAAAAAAAARAAAAAAAgAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-1,3-dioxolan-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-1,3-dioxolan-2-one

> <PUBCHEM_IUPAC_NAME>
4-methyl-1,3-dioxolan-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-1,3-dioxolan-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-1,3-dioxolan-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
RUOJZAUFBMNUDX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.4

> <PUBCHEM_EXACT_MASS>
102.031694

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
102.08864

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1COC(=O)O1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1COC(=O)O1

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.031694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
4  8  3

$$$$