Structure Database (LMSD)

Common Name
2-chloroacrylic acid
Systematic Name
2-chloro-2-propenoic acid
Synonyms
LM ID
LMFA01090069
Formula
C3H3ClO2
Exact Mass
Calculate m/z
105.982158
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
SZTBMYHIYNGYIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
SMILES (Click to copy)
C(C(Cl)=C)(=O)O

Other Databases

CHEBI ID
73963
PubChem CID
11735

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 87.97
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.82
Molar Refractivity 22.63

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Updated at
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