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89647-64-3

89647-64-3 | 6H-Benzofuro[3,2-c][1]benzopyran-3,7-diol,6a,11a-dihydro-2,9-dimethoxy-, (6aS,11aS)-

CAS No: 89647-64-3 Catalog No: AG003VJU MDL No:

Product Description

Catalog Number:
AG003VJU
Chemical Name:
6H-Benzofuro[3,2-c][1]benzopyran-3,7-diol,6a,11a-dihydro-2,9-dimethoxy-, (6aS,11aS)-
CAS Number:
89647-64-3
Molecular Formula:
C17H16O6
Molecular Weight:
316.3053
IUPAC Name:
(6aS,11aS)-2,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,7-diol
InChI:
InChI=1S/C17H16O6/c1-20-8-3-12(19)16-10-7-22-13-6-11(18)14(21-2)5-9(13)17(10)23-15(16)4-8/h3-6,10,17-19H,7H2,1-2H3/t10-,17-/m1/s1
InChI Key:
AUNLBMBIPNNEDJ-BMLIUANNSA-N
SMILES:
COc1cc2O[C@H]3[C@@H](c2c(c1)O)COc1c3cc(OC)c(c1)O

Properties

Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
316.095g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.309g/mol
Monoisotopic Mass:
316.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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