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66085-76-5 | nitroviolanthrene-5,10-dione
CAS No: 66085-76-5 Catalog No: AG00FXFG MDL No:
Product Description
Catalog Number:
AG00FXFG
Chemical Name:
nitroviolanthrene-5,10-dione
CAS Number:
66085-76-5
IUPAC Name:
8-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
InChI:
InChI=1S/C34H15NO4/c36-33-24-4-2-1-3-17(24)18-7-8-19-20-9-10-23-28-15-16(35(38)39)5-6-25(28)34(37)27-14-12-22(30(20)32(23)27)21-11-13-26(33)31(18)29(19)21/h1-15H
InChI Key:
JMLRQFUKQHMMLV-UHFFFAOYSA-N
EC Number:
266-134-9
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.1g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
501.497g/mol
Monoisotopic Mass:
501.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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