5521
  -OEChem-04262400022D

 22 22  0     1  0  0  0  0  0999 V2000
    3.0000    1.1550    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  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
M  END
> <PUBCHEM_COMPOUND_CID>
5521

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
200

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAIAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAgQCCAACADBAAQCAALAADCAQCBCAICAAAAgAAAACIAIAAgAAAAAAQAEAAAAEACIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_CAS_NAME>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_NAME>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
MFUKVPOVVKKLRQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-3.5

> <PUBCHEM_EXACT_MASS>
161.06056562

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12NO2P

> <PUBCHEM_MOLECULAR_WEIGHT>
161.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
CP(=O)(C1=CCNCC1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CP(=O)(C1=CCNCC1)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
161.06056562

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$