Structure Database (LMSD)

Common Name
Acetic acid
Systematic Name
ethanoic acid
Synonyms
  • Vinegar acid
  • 10.Methanecarboxylic acid
  • acetate
  • C2:0
LM ID
LMFA01010002
Status
Active
Exact Mass
Calculate m/z
60.02113
Formula
C2H4O2
Abbrev
FA 2:0
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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)
QTBSBXVTEAMEQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
SMILES (Click to copy)
CC(=O)O

References

Other Databases

Wikipedia
Acetic acid
KEGG ID
C00033
HMDB ID
HMDB0000042
CHEBI ID
15366
LIPIDBANK ID
DFA0002
PubChem CID
176
PlantFA ID
10010
SwissLipids ID
SLM:000000449

Calculated Physicochemical Properties

Heavy Atoms 4
Rings 0
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 58.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.09
Molar Refractivity 13.31

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022