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81-70-9 | 1-HYDROXY-2,4-BIS(PHENYLAMINO)ANTHRAQUINONE
CAS No: 81-70-9 Catalog No: AG005J0M MDL No:
Product Description
Catalog Number:
AG005J0M
Chemical Name:
1-HYDROXY-2,4-BIS(PHENYLAMINO)ANTHRAQUINONE
CAS Number:
81-70-9
Molecular Formula:
C26H18N2O3
Molecular Weight:
406.4327
IUPAC Name:
2,4-dianilino-1-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C26H18N2O3/c29-24-18-13-7-8-14-19(18)25(30)23-22(24)20(27-16-9-3-1-4-10-16)15-21(26(23)31)28-17-11-5-2-6-12-17/h1-15,27-28,31H
InChI Key:
PEMIJWTVSXCRRB-UHFFFAOYSA-N
SMILES:
Oc1c(Nc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)Nc1ccccc1
EC Number:
201-371-3
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.132g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.441g/mol
Monoisotopic Mass:
406.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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