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100495-28-1 | 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(methylamino)-
CAS No: 100495-28-1 Catalog No: AG000253 MDL No:
Product Description
Catalog Number:
AG000253
Chemical Name:
9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(methylamino)-
CAS Number:
100495-28-1
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
IUPAC Name:
1,4-dihydroxy-5,8-bis(methylamino)anthracene-9,10-dione
InChI:
InChI=1S/C16H14N2O4/c1-17-7-3-4-8(18-2)12-11(7)15(21)13-9(19)5-6-10(20)14(13)16(12)22/h3-6,17-20H,1-2H3
InChI Key:
ZBYPWDFKOOAONB-UHFFFAOYSA-N
SMILES:
CNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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