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TBU : Summary
Code
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TBU
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One-letter code
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X
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Molecule name
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TERTIARY-BUTYL ALCOHOL
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Synonyms
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2-METHYL-2-PROPANOL
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Systematic names
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Formula
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C4 H10 O
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Formal charge
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0
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Molecular weight
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74.122 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
OC(C)(C)C |
SMILES
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CACTVS |
3.352 |
CC(C)(C)O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)(C)O |
Canonical SMILES
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CACTVS |
3.352 |
CC(C)(C)O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC(C)(C)O |
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IUPAC InChI | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
IUPAC InChI key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (5 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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1999-07-08
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Last modified at
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2020-06-17
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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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