Isosaxalin

9-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one

Also Known As: Isosaxalin|SAXAKIN|NP1065|TN4329|9-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one|8-(3-Chloro-2-hydroxy-3-methylbutoxy)psoralen|9-(3-chloro-2-hydroxy-3-methyl-butoxy)furo[3,2-g]chromen-7-one|9-{[(2r)-3-chloro-2-hydroxy-3-methylbutyl]oxy}-7h-furo[3,2-g]chro Men-7-one|8-<3-Ethoxycarbonyl-2-octyl-1-cyclopropenyl>-octansaeure-methylester|9-(2-Hydroxy-3-chloro-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one|9-(3-chloro-2-hydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one|7H-Furo[3,2-g][1]benzopyran-7-one, 9-(3-chloro-2-hydroxy-3-methylbutoxy)-|(+)-9-(3-Chloro-2-hydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one; 8-(3-Chloro-2-hydroxy-3-methylbutoxy)psoralen; 8-(3-Chloro-2-hydroxy-3-methylbutyloxy)psoralen

Molecular Formula	C16H15ClO5
Molecular Weight	322.0608 g/mol
LogP	2.5
Topological Polar Surface Area	68.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	322.0608
Monoisotopic Mass	322.0608
Heavy Atoms	22
Complexity	463.0

Chemical Identifiers

CAS Number	55481-86-2
SMILES	CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)Cl
InChIKey	VNNTVHKCIBWHDR-UHFFFAOYSA-N