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60763-04-4 molecular structure
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aluminium(3+) ion octahydrate arsorate

ChemBase ID: 109523
Molecular Formular: AlAsH19O12
Molecular Mass: 313.046798
Monoisotopic Mass: 312.99078568
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.[AlH3+3].[O-][As](=O)([O-])[O-]
Canonical SMILES:
[O-][As](=O)([O-])[O-].O.O.O.O.O.O.O.O.[AlH3+3]
InChI:
InChI=1S/Al.AsH3O4.8H2O/c;2-1(3,4)5;;;;;;;;/h;(H3,2,3,4,5);8*1H2/q+3;;;;;;;;;/p-3
InChIKey:
CHNKHEXWDMIYLG-UHFFFAOYSA-K

Cite this record

CBID:109523 http://www.chembase.cn/molecule-109523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
aluminium(3+) ion octahydrate arsorate
IUPAC Traditional name
aluminium(3+) octahydrate arsenate
Synonyms
ALUMINUM ARSENATE OCTAHYDRATE
CAS Number
60763-04-4
PubChem SID
162095326
PubChem CID
24884165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211423 external link Add to cart Please log in.
Data Source Data ID
PubChem 24884165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1531765  H Acceptors
H Donor LogD (pH = 5.5) -3.27436 
LogD (pH = 7.4) -4.5524263  Log P -1.21 
Molar Refractivity 5.7716 cm3 Polarizability 7.079688 Å3
Polar Surface Area 86.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211423 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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