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89647-68-7 | 6H-Benzofuro[3,2-c][1]benzopyran-3,7-diol,6a,11a-dihydro-9-methoxy-, (6aS,11aS)-
CAS No: 89647-68-7 Catalog No: AG003VHC MDL No:
Product Description
Catalog Number:
AG003VHC
Chemical Name:
6H-Benzofuro[3,2-c][1]benzopyran-3,7-diol,6a,11a-dihydro-9-methoxy-, (6aS,11aS)-
CAS Number:
89647-68-7
Molecular Formula:
C16H14O5
Molecular Weight:
286.2794
IUPAC Name:
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,7-diol
InChI:
InChI=1S/C16H14O5/c1-19-9-5-12(18)15-11-7-20-13-4-8(17)2-3-10(13)16(11)21-14(15)6-9/h2-6,11,16-18H,7H2,1H3/t11-,16-/m1/s1
InChI Key:
RUSDVGLVSNJFOG-BDJLRTHQSA-N
SMILES:
COc1cc2O[C@H]3[C@@H](c2c(c1)O)COc1c3ccc(c1)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.283g/mol
Monoisotopic Mass:
286.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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