Xanthoascin
4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol
Also Known As: Xanthoascin|4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-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)-|1-(4-hydroxyphenyl)-4-(2,2-dimethyl-6-chromanyl)-2,3-diisocyano-1,3-butadiene|PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-|PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYREAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-, E,E-|Phenol, 4-[4-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-2,3-diisocyano-1,3-butadienyl]-
| Molecular Formula | C23H20N2O2 |
|---|---|
| Molecular Weight | 356.15247 g/mol |
| LogP | 5.71638 |
| Topological Polar Surface Area | 38.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.15247 |
| Monoisotopic Mass | 356.15247 |
| Heavy Atoms | 27 |
| Complexity | 1000.15436 |
Chemical Identifiers
| CAS Number | 61391-08-0 |
|---|---|
| SMILES | CC1(CCC2=C(O1)C=CC(=C2)/C=C(/C(=C/C3=CC=C(C=C3)O)/[N+]#[C-])\[N+]#[C-])C |
Product Overview
Xanthoascin (CAS 61391-08-0), with molecular formula C23H20N2O2 and molecular weight 356.15247 g/mol. IUPAC: 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol.