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56524-77-7 | 1-amino-4,5-dihydroxy-8-(methylamino)anthracene-9,10-dione
CAS No: 56524-77-7 Catalog No: AG003A2O MDL No:
Product Description
Catalog Number:
AG003A2O
Chemical Name:
1-amino-4,5-dihydroxy-8-(methylamino)anthracene-9,10-dione
CAS Number:
56524-77-7
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
IUPAC Name:
1-amino-4,5-dihydroxy-8-(methylamino)anthracene-9,10-dione
InChI:
InChI=1S/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)14(20)10-6(16)2-4-8(18)12(10)15(13)21/h2-5,17-19H,16H2,1H3
InChI Key:
UHEWQMYKNNPODZ-UHFFFAOYSA-N
SMILES:
CNc1ccc(c2c1C(=O)c1c(N)ccc(c1C2=O)O)O
EC Number:
260-243-5
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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