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113681-58-6 | 9H-Xanthen-9-one, 1-hydroxy-5,6-bis(phenylmethoxy)-
CAS No: 113681-58-6 Catalog No: AG0009BA MDL No:
Product Description
Catalog Number:
AG0009BA
Chemical Name:
9H-Xanthen-9-one, 1-hydroxy-5,6-bis(phenylmethoxy)-
CAS Number:
113681-58-6
Molecular Formula:
C27H20O5
Molecular Weight:
424.4447
IUPAC Name:
1-hydroxy-5,6-bis(phenylmethoxy)xanthen-9-one
InChI:
InChI=1S/C27H20O5/c28-21-12-7-13-22-24(21)25(29)20-14-15-23(30-16-18-8-3-1-4-9-18)27(26(20)32-22)31-17-19-10-5-2-6-11-19/h1-15,28H,16-17H2
InChI Key:
BCLARXDBRMPZSP-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(=O)c1c(o2)c(OCc2ccccc2)c(cc1)OCc1ccccc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.131g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.452g/mol
Monoisotopic Mass:
424.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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