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Home > Nitro Compounds > 128-60-9
128-60-9 | Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro-
CAS No: 128-60-9 Catalog No: AG000XNR MDL No:
Product Description
Catalog Number:
AG000XNR
Chemical Name:
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16-nitro-
CAS Number:
128-60-9
Molecular Formula:
C34H15NO4
Molecular Weight:
501.4872
IUPAC Name:
30-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione
InChI:
InChI=1S/C34H15NO4/c36-33-21-7-3-1-5-16(21)18-9-12-23-28-19(10-13-24(33)29(18)28)20-11-14-25-30-26(15-27(35(38)39)31(23)32(20)30)17-6-2-4-8-22(17)34(25)37/h1-15H
InChI Key:
LNNHYUOWYOSHPH-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2[N+](=O)[O-])c2c(C1=O)cccc2
EC Number:
204-898-7
UNII:
5444DF86I5
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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