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6831-82-9 molecular structure
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potassium propan-2-olate

ChemBase ID: 303299
Molecular Formular: C3H7KO
Molecular Mass: 98.18538
Monoisotopic Mass: 98.01339652
SMILES and InChIs

SMILES:
CC(C)[O-].[K+]
Canonical SMILES:
[O-]C(C)C.[K+]
InChI:
InChI=1S/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKey:
WQKGAJDYBZOFSR-UHFFFAOYSA-N

Cite this record

CBID:303299 http://www.chembase.cn/molecule-303299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium propan-2-olate
IUPAC Traditional name
potassium propan-2-olate
Synonyms
Potassium isopropoxide
异丙醇钾
CAS Number
6831-82-9
EC Number
229-909-2
MDL Number
MFCD00210641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39162 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.262587  H Acceptors
H Donor LogD (pH = 5.5) 0.2548059 
LogD (pH = 7.4) 0.25480592  Log P 0.25480592 
Molar Refractivity 27.979 cm3 Polarizability 6.5838666 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN3274 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
11-34-67 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H225-H314-H318-H336 expand Show data source
GHS Precautionary statements
P210-P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
99% (metals basis), 5% w/v in isopropanol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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