50988895
  -OEChem-06192423222D

 31 32  0     0  0  0  0  0  0999 V2000
    2.0000    1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5878   -1.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    0.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077   -1.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678   -1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554   -0.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554    0.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6678    0.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.9699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
50988895

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAEAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAAAAAAAHgIQAAAACC/hgEYACALABAAIAAEQEAAAAAAAAAAAAIAIAABRAAIAgABmAAAEFgCGAAGwQAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16ClNO3/c11-7-9(13)12-8-1-3-10(4-2-8)14-5-6-15-10/h8H,1-7H2,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
SXWDERBJDCRJQN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
233.0818711

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
233.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2(CCC1NC(=O)CCl)OCCO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2(CCC1NC(=O)CCl)OCCO2

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
233.0818711

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
