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EDO : Summary
Code
|
EDO
|
One-letter code
|
X
|
Molecule name
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1,2-ETHANEDIOL
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Synonyms
|
ETHYLENE GLYCOL
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Systematic names
|
|
Formula
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C2 H6 O2
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Formal charge
|
0
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Molecular weight
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62.068 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
OCCO |
SMILES
|
CACTVS |
3.341 |
OCCO |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CO)O |
Canonical SMILES
|
CACTVS |
3.341 |
OCCO |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CO)O |
|
IUPAC InChI | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 |
IUPAC InChI key | LYCAIKOWRPUZTN-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
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10 (4 without Hydrogen)
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Polymer type
|
Bound ligand
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Type description
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NON-POLYMER
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Type code
|
HETAIN
|
Is modified
|
No
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Standard parent
|
Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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