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UOC : Summary
Code 
|
UOC
|
One-letter code 
|
X
|
Molecule name 
|
undecan-2-one
|
Systematic names 
|
|
Formula 
|
C11 H22 O
|
Formal charge 
|
0
|
Molecular weight 
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170.292 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(CCCCCCCCC)C |
SMILES
|
CACTVS |
3.341 |
CCCCCCCCCC(C)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCC(=O)C |
Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCCCC(C)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCC(=O)C |
|
IUPAC InChI  | InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 |
IUPAC InChI key  | KYWIYKKSMDLRDC-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
34 (12 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
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Defined at 
|
2008-11-12
|
Last modified at 
|
2011-06-04
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Status 
|
Released
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Obsoleted 
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Not Assigned
|
|