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Home > Nitro Compounds > 16002-59-8
16002-59-8 | Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl
CAS No: 16002-59-8 Catalog No: AG001RMP MDL No:
Product Description
Catalog Number:
AG001RMP
Chemical Name:
Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl
CAS Number:
16002-59-8
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
1-(2-hydroperoxypropan-2-yl)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-9(2,14-13)7-3-5-8(6-4-7)10(11)12/h3-6,13H,1-2H3
InChI Key:
QMGHWVFGQGKFAG-UHFFFAOYSA-N
SMILES:
OOC(c1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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