Structure Database (LMSD)

Common Name
Butyric acid
Systematic Name
Butanoic acid
Synonyms
  • Butanoate
  • C4:0
  • Ethylacetic acid
LM ID
LMFA01010004
Status
Active
Exact Mass
Calculate m/z
88.05243
Formula
C4H8O2
Abbrev
FA 4:0
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

String Representations

InChiKey (Click to copy)
FERIUCNNQQJTOY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
SMILES (Click to copy)
CCCC(=O)O

References

Other Databases

Wikipedia
Butyric acid
KEGG ID
C00246
HMDB ID
HMDB0000039
CHEBI ID
30772
LIPIDBANK ID
DFA0004
PubChem CID
264
PlantFA ID
10013
SwissLipids ID
SLM:000001195

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 92.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.87
Molar Refractivity 22.54

Reactions

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Created at
-
Updated at
25th Apr 2022