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Home > Imidazoles > 824421-34-3
824421-34-3 | 9(10H)-Anthracenone, 3-(1H-benzimidazol-2-yl)-1,6,8-trihydroxy-
CAS No: 824421-34-3 Catalog No: AG004W79 MDL No:
Product Description
Catalog Number:
AG004W79
Chemical Name:
9(10H)-Anthracenone, 3-(1H-benzimidazol-2-yl)-1,6,8-trihydroxy-
CAS Number:
824421-34-3
Molecular Formula:
C21H14N2O4
Molecular Weight:
358.3469
IUPAC Name:
3-(1H-benzimidazol-2-yl)-1,6,8-trihydroxy-10H-anthracen-9-one
InChI:
InChI=1S/C21H14N2O4/c24-13-7-11-5-10-6-12(21-22-14-3-1-2-4-15(14)23-21)8-16(25)18(10)20(27)19(11)17(26)9-13/h1-4,6-9,24-26H,5H2,(H,22,23)
InChI Key:
GKBMANPTODITCM-UHFFFAOYSA-N
SMILES:
Oc1cc2Cc3cc(cc(c3C(=O)c2c(c1)O)O)c1nc2c([nH]1)cccc2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.353g/mol
Monoisotopic Mass:
358.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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