AC1MJ4I3 structure

AC1MJ4I3

(2R,9aS)-2,8-diamino-5,10-dihydroxy-3,7-dimethyl-2,9a-dihydroanthracene-1,9-dione

Also Known As: EINECS 274-983-1|9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy-, methylated|(2R,9aS)-2,8-diamino-5,10-dihydroxy-3,7-dimethyl-2,9a-dihydroanthracene-1,9-dione

CAS: 70892-22-7
Molecular Formula C16H16N2O4
Molecular Weight 300.111 g/mol
LogP 1.22072
Topological Polar Surface Area 126.64 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
Rotatable Bonds 0
Exact Mass 300.111
Monoisotopic Mass 300.111
Heavy Atoms 22
Complexity 804.8541

Chemical Identifiers

CAS Number 70892-22-7
SMILES CC1=CC2=C(C3=C(C=C(C(=C3C(=O)[C@H]2C(=O)[C@@H]1N)N)C)O)O

Product Overview

AC1MJ4I3 (CAS 70892-22-7), with molecular formula C16H16N2O4 and molecular weight 300.111 g/mol. IUPAC: (2R,9aS)-2,8-diamino-5,10-dihydroxy-3,7-dimethyl-2,9a-dihydroanthracene-1,9-dione.

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