caffeic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 358
Total Number of Articles : 371
PubChem 689043
Molecular Formula

C9H8O4

SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)O)O

InChI

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

synonyms
  • caffeic acid
  • 3,4-Dihydroxycinnamic acid
  • 331-39-5
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Properties
Property Value
MW 180.16 g/mol
HBD 3
HBA 4
Rotatable Bond Count 2
Exact Mass 180.04225873 g/mol
Monoisotopic Mass 180.04225873 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 212
xlogp 1.2
Topological Polar Surface Area 77.8