(2E,4Z)-3-Chloro-2,4-Hexadienedioic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C6H3ClO4
IUPAC Name (3s)-3-[(z)-2-chloro-2-[(2s)-3-oxooxiran-2-yl]vinyl]oxiran-2-one
Molecular Mass 174.539 g·mol−1
Heat of Formation -668.9 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 182.96 Å 3
Surface Area 181.95 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4z)-3-chlorohexa-2,4-dienedioic acid
  • (e,z)-3-chloro-2,4-hexadienedioic acid
  • 2,4-hexadienedioic acid, 3-chloro-, (e,z)-
  • 3-chloro-cis,cis-muconic acid
CAS Number(s)
  • 22752-96-1
InChIKey ICMVYBXQDUXEEE-BXTBVDPRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl