34521
  -OEChem-05082405442D

 28 29  0     1  0  0  0  0  0999 V2000
    3.2601    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    2.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.1573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    1.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -0.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    0.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    1.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    2.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -3.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056    3.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4911   -3.6915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -3.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 25  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
34521

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
244

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAACAAADBzhmAYyyIMABgCIAiRCWACCAAAhAgAIiAAIZIgLMCLAkZGNYAhihgDbyAcQgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(hydroxymethyl)-3-(m-tolyl)oxazolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-(hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_NAME>
5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methylol-3-(m-tolyl)oxazolidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
MXUNKHLAEDCYJL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
207.08954328

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
207.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC=C1)N2CC(OC2=O)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC=C1)N2CC(OC2=O)CO

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
207.08954328

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
10  12  8
11  13  8
12  14  8
13  14  8
5  8  3
7  10  8
7  11  8

$$$$