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25114-58-3 molecular structure
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bis(acetyloxy)indiganyl acetate

ChemBase ID: 149133
Molecular Formular: C6H9InO6
Molecular Mass: 291.95006
Monoisotopic Mass: 291.94379101
SMILES and InChIs

SMILES:
CC(=O)O[In](OC(=O)C)OC(=O)C
Canonical SMILES:
CC(=O)O[In](OC(=O)C)OC(=O)C
InChI:
InChI=1S/3C2H4O2.In/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey:
VBXWCGWXDOBUQZ-UHFFFAOYSA-K

Cite this record

CBID:149133 http://www.chembase.cn/molecule-149133.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(acetyloxy)indiganyl acetate
IUPAC Traditional name
bis(acetyloxy)indiganyl acetate
Synonyms
Indium(III) acetate
醋酸铟
CAS Number
25114-58-3
MDL Number
MFCD00054347
PubChem SID
24873489
162243301
PubChem CID
16685169

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
510270 external link Add to cart Please log in.
Data Source Data ID
PubChem 16685169 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1701  LogD (pH = 7.4) -0.1701 
Log P -0.1701  Molar Refractivity 35.1483 cm3
Polarizability 19.83951 Å3 Polar Surface Area 78.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
270 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.99% trace metals basis expand Show data source
Linear Formula
In(C2H3O2)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 510270 external link
Packaging
10, 50 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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