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Home > Nitro Compounds > 89185-83-1
89185-83-1 | 2,4-Pentanedione, 3-(4-nitrophenyl)-
CAS No: 89185-83-1 Catalog No: AG003W0E MDL No:
Product Description
Catalog Number:
AG003W0E
Chemical Name:
2,4-Pentanedione, 3-(4-nitrophenyl)-
CAS Number:
89185-83-1
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
3-(4-nitrophenyl)pentane-2,4-dione
InChI:
InChI=1S/C11H11NO4/c1-7(13)11(8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,11H,1-2H3
InChI Key:
IBXXQJNVHFSRAV-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccc(cc1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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