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10146-55-1 | 9,10-Anthracenedione, 1,8-diamino-2-methyl-
CAS No: 10146-55-1 Catalog No: AG0004J4 MDL No:
Product Description
Catalog Number:
AG0004J4
Chemical Name:
9,10-Anthracenedione, 1,8-diamino-2-methyl-
CAS Number:
10146-55-1
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
1,8-diamino-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C15H12N2O2/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6H,16-17H2,1H3
InChI Key:
WBAJUIUMHNNUHF-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1ccc(c2N)C)N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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