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06Y : Summary
Code
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06Y
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One-letter code
|
X
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Molecule name
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2-phenoxyethanoic acid
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Systematic names
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Formula
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C8 H8 O3
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Formal charge
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0
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Molecular weight
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152.147 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)COc1ccccc1 |
SMILES
|
CACTVS |
3.370 |
OC(=O)COc1ccccc1 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
c1ccc(cc1)OCC(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)COc1ccccc1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
c1ccc(cc1)OCC(=O)O |
|
IUPAC InChI | InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
IUPAC InChI key | LCPDWSOZIOUXRV-UHFFFAOYSA-N |
Is part of |
076
, 079
|
|
wwPDB Information |
Atom count
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19 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2011-09-19
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Last modified at
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2012-08-10
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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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