Structure Database (LMSD)

Common Name
2,3,3-tribromoacrylic acid
Systematic Name
2,3,3-tribromopropenoic acid
Synonyms
  • 2,3,3-tribromo-2-propenoic acid
LM ID
LMFA01090077
Formula
C3HBr3O2
Exact Mass
Calculate m/z
305.752663
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
UKFXMSBXHCEXIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
SMILES (Click to copy)
C(O)(=O)/C(/Br)=C(\Br)/Br

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asparagopsis taxiformis (#260499)
Florideophyceae (#2806)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

Other Databases

PubChem CID
14227575

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 130.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.42
Molar Refractivity 41.44

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Updated at
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