4-[(1Z,3Z)-4-(2,2-Dimethyl-3,4-Dihydro-2H-Chromen-6-Yl)-2,3-Diisocyano-1,3-Butadien-1-Yl]Phenol

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Properties Simple | Detailed

Formula C23H22N2O2
IUPAC Name 4-[(1z,3z)-4-(2,2-dimethylchroman-6-yl)-2,3-diisocyano-buta-1,3-dienyl]phenol
Molecular Mass 358.433 g·mol−1
Heat of Formation 242.6 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 454.28 Å 3
Surface Area 399.34 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1z,3z)-4-(2,2-dimethyl-6-chromanyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
  • 4-[(1z,3z)-4-(2,2-dimethylchroman-6-yl)-2,3-diisocyano-buta-1,3-dienyl]phenol
  • 4-[(1z,3z)-4-(2,2-dimethylchroman-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol
  • phenol, 4-(4-(3,4-dihydro-2,2-dimethyl-2h-1-benzopyran-6-yl)-2,3-diisocyano-1,3-butadienyl)-
  • xanthoascin
CAS Number(s)
  • 61391-08-0
InChIKey ONZXHWTZPHRYLC-SIBCGJTDSA-N
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