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12004-36-3 molecular structure
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bis(λ1-alumanylium) oxidandiide

ChemBase ID: 125760
Molecular Formular: Al2O
Molecular Mass: 69.962476
Monoisotopic Mass: 69.95799188
SMILES and InChIs

SMILES:
[O-2].[AlH3+].[AlH3+]
Canonical SMILES:
[O-2].[AlH3+].[AlH3+]
InChI:
InChI=1S/2Al.O/q2*+1;-2
InChIKey:
XUZSOZBCQFYTMP-UHFFFAOYSA-N

Cite this record

CBID:125760 http://www.chembase.cn/molecule-125760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(λ1-alumanylium) oxidandiide
IUPAC Traditional name
bis(λ1-alumanylium) oxidandiide
Synonyms
Aluminium(I) oxide
Aluminium(I) oxide
CAS Number
12004-36-3
PubChem CID
16682998
Chemspider ID
17615568
Wikipedia Title
Aluminium(I)_oxide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Wikipedia Aluminium(I)_oxide external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors 1 
H Donor 0  LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 13.1149 cm3 Polarizability 1.8190874 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds 0 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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