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Home > Other Building Blocks > 18015-41-3
18015-41-3 | 9,10-Anthracenedione, 1,4-dihydroxy-2-phenoxy-
CAS No: 18015-41-3 Catalog No: AG0021QT MDL No:
Product Description
Catalog Number:
AG0021QT
Chemical Name:
9,10-Anthracenedione, 1,4-dihydroxy-2-phenoxy-
CAS Number:
18015-41-3
Molecular Formula:
C20H12O5
Molecular Weight:
332.3063
IUPAC Name:
1,4-dihydroxy-2-phenoxyanthracene-9,10-dione
InChI:
InChI=1S/C20H12O5/c21-14-10-15(25-11-6-2-1-3-7-11)20(24)17-16(14)18(22)12-8-4-5-9-13(12)19(17)23/h1-10,21,24H
InChI Key:
YWVVRPJWXVQJNX-UHFFFAOYSA-N
SMILES:
Oc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.311g/mol
Monoisotopic Mass:
332.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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