4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 154700504
Molecular Formula

C9H14O4

SMILES

CCC[C@H]1C(=C(CO1)CO)C(=O)O

InChI

InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1

synonyms
  • 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
  • LUB
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Properties
Property Value
MW 186.20 g/mol
HBD 2
HBA 4
Rotatable Bond Count 4
Exact Mass 186.08920892 g/mol
Monoisotopic Mass 186.08920892 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 232
xlogp -0.5
Topological Polar Surface Area 66.8