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Home > Nitro Compounds > 174158-08-8
174158-08-8 | 1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-10-(3-nitrophenyl)-
CAS No: 174158-08-8 Catalog No: AG001ZHP MDL No:
Product Description
Catalog Number:
AG001ZHP
Chemical Name:
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-10-(3-nitrophenyl)-
CAS Number:
174158-08-8
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
10-(3-nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
InChI:
InChI=1S/C19H18N2O4/c22-18-8-2-6-16-14(18)11-15-17(7-3-9-19(15)23)20(16)12-4-1-5-13(10-12)21(24)25/h1,4-5,10H,2-3,6-9,11H2
InChI Key:
APRPTHKQNLKGCM-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1CC1=C(N2c2cccc(c2)[N+](=O)[O-])CCCC1=O
NSC Number:
665135
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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