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156-54-7 molecular structure
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butanoic acid sodium

ChemBase ID: 111272
Molecular Formular: C4H8NaO2
Molecular Mass: 111.09489
Monoisotopic Mass: 111.04219878
SMILES and InChIs

SMILES:
[Na].CCCC(=O)O
Canonical SMILES:
CCCC(=O)O.[Na]
InChI:
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKey:
SWEYNHYBJHPVJL-UHFFFAOYSA-N

Cite this record

CBID:111272 http://www.chembase.cn/molecule-111272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butanoic acid sodium
IUPAC Traditional name
butanoic acid potassium
Synonyms
SODIUM-n-BUTYRATE
CAS Number
156-54-7
EC Number
205-857-6
PubChem SID
162097089
PubChem CID
10154025

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05218453 external link Add to cart Please log in.
Data Source Data ID
PubChem 10154025 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9079223  H Acceptors
H Donor LogD (pH = 5.5) 0.23125745 
LogD (pH = 7.4) -1.5335919  Log P 0.9217588 
Molar Refractivity 21.8716 cm3 Polarizability 8.649612 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
ET6400000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 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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