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Home > Nitro Compounds > 1153-90-8
1153-90-8 | 1H-Indene-1,3(2H)-dione, 2-(4-nitrophenyl)-
CAS No: 1153-90-8 Catalog No: AG000GL8 MDL No:
Product Description
Catalog Number:
AG000GL8
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(4-nitrophenyl)-
CAS Number:
1153-90-8
Molecular Formula:
C15H9NO4
Molecular Weight:
267.2363
IUPAC Name:
2-(4-nitrophenyl)indene-1,3-dione
InChI:
InChI=1S/C15H9NO4/c17-14-11-3-1-2-4-12(11)15(18)13(14)9-5-7-10(8-6-9)16(19)20/h1-8,13H
InChI Key:
ILBWATALSIGPSR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.24g/mol
Monoisotopic Mass:
267.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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