Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050388
Common Name2-ethyl-hydracrylic acid
Systematic Name2-ethyl-3-hydroxy-propionic acid
Synonyms-
Exact Mass
118.0630 (neutral)    Calculate m/z:
FormulaC5H10O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID188979
HMDB IDHMDB0000396
InChIKeyZMZQVAUJTDKQGE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILESC(=O)(O)C(CC)CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
118.79Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.37Molar
Refractivity
28.99