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54983-89-0 molecular structure
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barium(2+) ion bis(2-hydroxypropanoate)

ChemBase ID: 106964
Molecular Formular: C6H10BaO6
Molecular Mass: 315.467
Monoisotopic Mass: 315.95298504
SMILES and InChIs

SMILES:
[Ba+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
Canonical SMILES:
CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ba+2]
InChI:
InChI=1S/2C3H6O3.Ba/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKey:
HLKMEIITONDPGG-UHFFFAOYSA-L

Cite this record

CBID:106964 http://www.chembase.cn/molecule-106964.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion bis(2-hydroxypropanoate)
IUPAC Traditional name
barium(2+) dilactate
Synonyms
BARIUM LACTATE
CAS Number
54983-89-0
PubChem SID
162093200
PubChem CID
6453109

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202072 external link Add to cart Please log in.
Data Source Data ID
PubChem 6453109 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7849424  H Acceptors
H Donor LogD (pH = 5.5) -2.1885695 
LogD (pH = 7.4) -3.7410624  Log P -0.4718295 
Molar Refractivity 29.6769 cm3 Polarizability 7.4274864 Å3
Polar Surface Area 60.36 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 - 05202072 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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