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EEE : Summary
Code 
|
EEE
|
One-letter code 
|
X
|
Molecule name 
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ETHYL ACETATE
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Systematic names 
|
|
Formula 
|
C4 H8 O2
|
Formal charge 
|
0
|
Molecular weight 
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88.105 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
11.02 |
O=C(OCC)C |
SMILES
|
CACTVS |
3.352 |
CCOC(C)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCOC(=O)C |
Canonical SMILES
|
CACTVS |
3.352 |
CCOC(C)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCOC(=O)C |
|
IUPAC InChI  | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
IUPAC InChI key  | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
|
14 (6 without Hydrogen)
|
Polymer type 
|
Bound ligand
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Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
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Defined at 
|
1999-07-08
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Last modified at 
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2011-06-04
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Status 
|
Released
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Obsoleted 
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Not Assigned
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