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Home > Nitro Compounds > 84674-75-9
84674-75-9 | 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-2,6-dinonyl-
CAS No: 84674-75-9 Catalog No: AG004POS MDL No:
Product Description
Catalog Number:
AG004POS
Chemical Name:
9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-2,6-dinonyl-
CAS Number:
84674-75-9
Molecular Formula:
C32H42N2O8
Molecular Weight:
582.6845
IUPAC Name:
1,5-dihydroxy-4,8-dinitro-2,6-di(nonyl)anthracene-9,10-dione
InChI:
InChI=1S/C32H42N2O8/c1-3-5-7-9-11-13-15-17-21-19-23(33(39)40)25-27(29(21)35)31(37)26-24(34(41)42)20-22(30(36)28(26)32(25)38)18-16-14-12-10-8-6-4-2/h19-20,35-36H,3-18H2,1-2H3
InChI Key:
AOJKIHFUPFIDNE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cc([N+](=O)[O-])c2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1[N+](=O)[O-])CCCCCCCCC
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.294g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
582.694g/mol
Monoisotopic Mass:
582.294g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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