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Home > Nitro Compounds > 88011-41-0
88011-41-0 | 2,5-Pyrrolidinedione, 3-ethyl-3-methyl-1-(3-nitrophenyl)-
CAS No: 88011-41-0 Catalog No: AG004KHG MDL No:
Product Description
Catalog Number:
AG004KHG
Chemical Name:
2,5-Pyrrolidinedione, 3-ethyl-3-methyl-1-(3-nitrophenyl)-
CAS Number:
88011-41-0
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
3-ethyl-3-methyl-1-(3-nitrophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H14N2O4/c1-3-13(2)8-11(16)14(12(13)17)9-5-4-6-10(7-9)15(18)19/h4-7H,3,8H2,1-2H3
InChI Key:
OSRACPIIXNQNQU-UHFFFAOYSA-N
SMILES:
CCC1(C)CC(=O)N(C1=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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