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16577-52-9 molecular structure
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lithium(1+) ion octanoate

ChemBase ID: 303357
Molecular Formular: C8H15LiO2
Molecular Mass: 150.1445
Monoisotopic Mass: 150.12320927
SMILES and InChIs

SMILES:
[Li+].CCCCCCCC(=O)[O-]
Canonical SMILES:
CCCCCCCC(=O)[O-].[Li+]
InChI:
InChI=1S/C8H16O2.Li/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1
InChIKey:
BTAUEIDLAAYHSL-UHFFFAOYSA-M

Cite this record

CBID:303357 http://www.chembase.cn/molecule-303357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion octanoate
IUPAC Traditional name
lithium(1+) ion octanoate
Synonyms
Caprylic acid, lithium salt
Lithium octanoate
辛酸锂
CAS Number
16577-52-9
EC Number
240-637-3
MDL Number
MFCD00210629

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 39371 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.192975  H Acceptors
H Donor LogD (pH = 5.5) 2.2191668 
LogD (pH = 7.4) 0.510514  Log P 2.7000334 
Molar Refractivity 51.1127 cm3 Polarizability 15.86637 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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