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87292-54-4 | 2H-1-Benzopyran-3(4H)-one,2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-, (2R)-
CAS No: 87292-54-4 Catalog No: AG004P1K MDL No:
Product Description
Catalog Number:
AG004P1K
Chemical Name:
2H-1-Benzopyran-3(4H)-one,2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-, (2R)-
CAS Number:
87292-54-4
Molecular Formula:
C43H36O6
Molecular Weight:
648.7423
IUPAC Name:
(2R)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-4H-chromen-3-one
InChI:
InChI=1S/C43H36O6/c44-38-26-37-40(47-29-33-17-9-3-10-18-33)24-36(45-27-31-13-5-1-6-14-31)25-41(37)49-43(38)35-21-22-39(46-28-32-15-7-2-8-16-32)42(23-35)48-30-34-19-11-4-12-20-34/h1-25,43H,26-30H2/t43-/m1/s1
InChI Key:
KBNQMTSOLKALHK-VZUYHUTRSA-N
SMILES:
O=C1Cc2c(O[C@@H]1c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)cc(cc2OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
963
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
648.251g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
648.755g/mol
Monoisotopic Mass:
648.251g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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