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Home > Nitro Compounds > 85981-58-4
85981-58-4 | Hydroperoxide, 1,1-dimethyl-3-(4-nitrophenyl)propyl
CAS No: 85981-58-4 Catalog No: AG004M85 MDL No:
Product Description
Catalog Number:
AG004M85
Chemical Name:
Hydroperoxide, 1,1-dimethyl-3-(4-nitrophenyl)propyl
CAS Number:
85981-58-4
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
1-(3-hydroperoxy-3-methylbutyl)-4-nitrobenzene
InChI:
InChI=1S/C11H15NO4/c1-11(2,16-15)8-7-9-3-5-10(6-4-9)12(13)14/h3-6,15H,7-8H2,1-2H3
InChI Key:
TVCHABDWNZPZJC-UHFFFAOYSA-N
SMILES:
OOC(CCc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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