753
  -OEChem-02210611182D

 14 13  0     0  0  0  0  0  0999 V2000
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
753

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwQMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAIAACgFAgAAAACgAACAAAAAAAAAAAAAAAAAAAAAAAAEAEAAAAAAAABAEAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
glycerol

> <PUBCHEM_IUPAC_CAS_NAME>
glycerol

> <PUBCHEM_IUPAC_NAME>
propane-1,2,3-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
propane-1,2,3-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
glycerol

> <PUBCHEM_NIST_INCHI>
InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

> <PUBCHEM_CACTVS_XLOGP>
-1.334

> <PUBCHEM_OPENEYE_MF>
C3H8O3

> <PUBCHEM_OPENEYE_MW>
92.0938

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(CO)O)O

> <PUBCHEM_CACTVS_TPSA>
60.69

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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_SUBSTANCE_ID>
148790

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000056815

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,3-Propanetriol
1,2,3-Trihydroxypropane
29796-42-7
30049-52-6
37228-54-9
4-01-00-02751 (Beilstein Handbook Reference)
56-81-5
75398-78-6
78630-16-7
8013-25-0
90 Technical glycerine
AI3-00091
Aci-Jel
Auralgan
BRN 0635685
CCRIS 2295
Caswell No. 469
Citifluor AF 2
Clyzerin, wasserfrei [German]
Collyrium Fresh-Eye Drops
Dagralax
EINECS 200-289-5
EPA Pesticide Chemical Code 063507
FEMA No. 2525
GLYCERIN
Glicerina [DCIT]
Glicerol [INN-Spanish]
Glycerin (mist)
Glycerin [JAN]
Glycerin mist
Glycerin, anhydrous
Glycerin, synthetic
Glycerine
Glycerine mist
Glycerinum
Glyceritol
Glycerol
Glycerolum [INN-Latin]
Glycyl alcohol
Glyrol
Glysanin
Grocolene
HSDB 492
IFP
Incorporation factor
MOON
NSC 9230
Ophthalgan
Optim
Osmoglyn
Propanetriol
Propanetriol (VAN)
Star
Synthetic glycerin
Synthetic glycerine
Trihydroxypropane
Vitrosupos

> <PUBCHEM_GENERIC_REGISTRY_NAME>
29796-42-7
30049-52-6
37228-54-9
56-81-5
75398-78-6
78630-16-7
8013-25-0

> <PUBCHEM_XREF_EXT_ID>
000056815

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000056815

> <PUBCHEM_CID_ASSOCIATIONS>
753  1

$$$$