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16090-09-8 molecular structure
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lithium(1+) ion 3-carboxypropanoate

ChemBase ID: 111984
Molecular Formular: C4H5LiO4
Molecular Mass: 124.0211
Monoisotopic Mass: 124.03478819
SMILES and InChIs

SMILES:
[Li+].OC(=O)CCC(=O)[O-]
Canonical SMILES:
[O-]C(=O)CCC(=O)O.[Li+]
InChI:
InChI=1S/C4H6O4.Li/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1
InChIKey:
LQNUMILKBSMSMM-UHFFFAOYSA-M

Cite this record

CBID:111984 http://www.chembase.cn/molecule-111984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion 3-carboxypropanoate
IUPAC Traditional name
LithoTab succinate(1-)
Synonyms
LITHIUM SUCCINATE
CAS Number
16090-09-8
PubChem SID
162096819
PubChem CID
25021852

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05222040 external link Add to cart Please log in.
Data Source Data ID
PubChem 25021852 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5541666  H Acceptors
H Donor LogD (pH = 5.5) -2.5536554 
LogD (pH = 7.4) -5.4738803  Log P -0.39848298 
Molar Refractivity 34.3741 cm3 Polarizability 9.264066 Å3
Polar Surface Area 77.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:14/15-34 expand Show data source
Safety Statements
S:8-45 expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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