702
  -OEChem-04260609342D

  9  8  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -0.7869    0.0000 H   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
    4.5790    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
702

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethanol

> <PUBCHEM_IUPAC_CAS_NAME>
ethanol

> <PUBCHEM_IUPAC_NAME>
ethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethanol

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3

> <PUBCHEM_CACTVS_XLOGP>
0.017

> <PUBCHEM_CACTVS_EXACT_MASS>
46.0419

> <PUBCHEM_OPENEYE_MF>
C2H6O

> <PUBCHEM_OPENEYE_MW>
46.0684

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCO

> <PUBCHEM_CACTVS_TPSA>
20.23

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
46.0419

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
149046

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000064175

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Hydroxyethane
121182-78-3
64-17-5
8000-16-6
8024-45-1
AI3-01706
Absolute ethanol
Aethanol [German]
Aethylalkohol [German]
Alcohol
Alcohol (ethyl alcohol)
Alcohol dehydrated
Alcohol, anhydrous
Alcohol, diluted
Alcohol, ethyl
Alcohols
Alcool ethylique [French]
Alcool etilico [Italian]
Algrain
Alkohol [German]
Alkoholu etylowego [Polish]
Anhydrol
CCRIS 945
Caswell No. 430
Cologne Spirit
Denatured alcohol
Denatured alcohol CD-10
Denatured alcohol CD-5
Denatured alcohol CD-5a
Denatured alcohol SD-1
Denatured alcohol SD-13a
Denatured alcohol SD-17
Denatured alcohol SD-23a
Denatured alcohol SD-28
Denatured alcohol SD-30
Denatured alcohol SD-39b
Denatured alcohol SD-39c
Denatured alcohol SD-3a
Denatured alcohol SD-40m
Denatured ethanol
Distilled spirits
EINECS 200-578-6
EPA Pesticide Chemical Code 001501
ETHANOL
EtOH
Etanolo [Italian]
Ethanol 200 proof
Ethanol solution
Ethanol, undenatured
Ethyl alcohol
Ethyl alcohol & water, 10%
Ethyl alcohol & water, 20%
Ethyl alcohol & water, 30%
Ethyl alcohol & water, 40%
Ethyl alcohol & water, 5%
Ethyl alcohol & water, 50%
Ethyl alcohol & water, 60%
Ethyl alcohol & water, 70%
Ethyl alcohol & water, 80%
Ethyl alcohol & water, 95%
Ethyl alcohol & water, 96%
Ethyl alcohol and water
Ethyl alcohol anhydrous
Ethyl alcohol in alcoholic beverages
Ethyl alcohol usp
Ethyl alcohol, undenatured
Ethyl hydrate
Ethyl hydroxide
Ethylalcohol [Dutch]
Etylowy alkohol [Polish]
FEMA No. 2419
FEMA Number 2419
Fermentation alcohol
Grain alcohol
HSDB 82
Hydroxyethane
Jaysol S
Methylcarbinol
Molasses alcohol
NCI-C03134
NSC 85228
Potato alcohol
Ru-Tuss Expectorant
Ru-Tuss Hydrocodone Liquid
Ru-Tuss Liquid
SD Alchol 23-hydrogen
SDM No. 37
Spirits of wine
Tecsol
Tecsol C

> <PUBCHEM_GENERIC_REGISTRY_NAME>
121182-78-3
64-17-5
8000-16-6
8024-45-1

> <PUBCHEM_XREF_EXT_ID>
000064175

> <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=000064175

> <PUBCHEM_CID_ASSOCIATIONS>
702  1

$$$$