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Home > Nitro Compounds > 24161-58-8
24161-58-8 | 1-Ethyl 3-(2-nitrophenyl) 2,2-dimethylmalonate
CAS No: 24161-58-8 Catalog No: AG01ED4N MDL No:
Product Description
Catalog Number:
AG01ED4N
Chemical Name:
1-Ethyl 3-(2-nitrophenyl) 2,2-dimethylmalonate
CAS Number:
24161-58-8
IUPAC Name:
1-O-ethyl 3-O-(2-nitrophenyl) 2,2-dimethylpropanedioate
InChI:
InChI=1S/C13H15NO6/c1-4-19-11(15)13(2,3)12(16)20-10-8-6-5-7-9(10)14(17)18/h5-8H,4H2,1-3H3
InChI Key:
SGZAYCZVEJXAAH-UHFFFAOYSA-N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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