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11079-26-8 molecular structure
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uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)

ChemBase ID: 130091
Molecular Formular: C16H12U
Molecular Mass: 442.29539
Monoisotopic Mass: 442.14468838
SMILES and InChIs

SMILES:
[U+4].[C-]1=CC=C[C-]=CC=C1.[C-]1=CC=C[C-]=CC=C1
Canonical SMILES:
[C-]1=CC=C[C-]=CC=C1.[C-]1=CC=C[C-]=CC=C1.[U+4]
InChI:
InChI=1S/2C8H6.U/c2*1-2-4-6-8-7-5-3-1;/h2*1-3,6-8H;/q2*-2;+4/b2*2-1-,3-1-,8-6-,8-7-;
InChIKey:
KFOPDLKCESMWPW-HKGNRZRCSA-N

Cite this record

CBID:130091 http://www.chembase.cn/molecule-130091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)
IUPAC Traditional name
uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)
Synonyms
Uranium cyclooctatetraenide
U(COT)2
Uranocene
CAS Number
11079-26-8
PubChem SID
162224376
PubChem CID
139204
71308294
Wikipedia Title
Uranocene

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5972  LogD (pH = 7.4) 1.5972 
Log P 2.1088626  Molar Refractivity 36.3558 cm3
Polarizability 12.981085 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
green crystals expand Show data source
Main Hazard
ignites in air expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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