756
  -OEChem-04250617252D

  8  7  0     0  0  0  0  0  0999 V2000
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
756

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAIAAgQgAIAAAAAAAAAAABAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hydroxyethanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H4O2/c3-1-2-4/h1,4H,2H2

> <PUBCHEM_CACTVS_XLOGP>
-0.89

> <PUBCHEM_CACTVS_EXACT_MASS>
60.0211

> <PUBCHEM_OPENEYE_MF>
C2H4O2

> <PUBCHEM_OPENEYE_MW>
60.052

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
60.0211

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
2

> <PUBCHEM_SUBSTANCE_ID>
151997

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000141468

> <PUBCHEM_SUBSTANCE_SYNONYM>
141-46-8
4-01-00-03955 (Beilstein Handbook Reference)
Acetaldehyde, hydroxy- (9CI)
BRN 0506029
CCRIS 2613
Diose
EINECS 205-484-9
GLYCOALDEHYDE
Glycolaldehyde
Glycolic aldehyde
Glycollaldehyde
HYDROXYACETALDEHYDE
Methylol formaldehyde
Monomethylolformaldehyde
NSC 67935

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-46-8

> <PUBCHEM_XREF_EXT_ID>
000141468

> <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=000141468

> <PUBCHEM_CID_ASSOCIATIONS>
756  1

$$$$