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113882-03-4 | 9-Anthracenol, 10,10'-dioxybis[9,10-dihydro-9,10-diphenyl- (9CI)
CAS No: 113882-03-4 Catalog No: AG0009YN MDL No:
Product Description
Catalog Number:
AG0009YN
Chemical Name:
9-Anthracenol, 10,10'-dioxybis[9,10-dihydro-9,10-diphenyl- (9CI)
CAS Number:
113882-03-4
Molecular Formula:
C52H38O4
Molecular Weight:
726.8557
IUPAC Name:
10-(10-hydroxy-9,10-diphenylanthracen-9-yl)peroxy-9,10-diphenylanthracen-9-ol
InChI:
InChI=1S/C52H38O4/c53-49(37-21-5-1-6-22-37)41-29-13-17-33-45(41)51(39-25-9-3-10-26-39,46-34-18-14-30-42(46)49)55-56-52(40-27-11-4-12-28-40)47-35-19-15-31-43(47)50(54,38-23-7-2-8-24-38)44-32-16-20-36-48(44)52/h1-36,53-54H
InChI Key:
CUMBQNSMINXFDC-UHFFFAOYSA-N
SMILES:
OC1(c2ccccc2)c2ccccc2C(c2c1cccc2)(OOC1(c2ccccc2)c2ccccc2C(c2c1cccc2)(O)c1ccccc1)c1ccccc1
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
726.277g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
726.872g/mol
Monoisotopic Mass:
726.277g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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