Hydrocaffeate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H10O4
IUPAC Name 3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Mass 182.173 g·mol−1
Heat of Formation -700.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 212.67 Å 3
Surface Area 209.02 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dihydroxyhydrocinnamic acid
  • 3,4-dihydroxyphenylpropionic acid
  • 3,4-hpa
  • 3-(3,4-dihydroxyphenyl)propionic acid
  • benzenepropanoic acid, 3,4-dihydroxy-
  • dihydrocaffeic acid
  • hydrocaffeic acid
  • hydrocaffeic acid polymer
  • hydrocinnamic acid, 3,4-dihydroxy-
  • hykop
CAS Number(s)
  • 71693-95-3
  • 1078-61-1
InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O