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Home > Nitro Compounds > 88011-36-3
88011-36-3 | 2,5-Pyrrolidinedione, 3,3-dimethyl-1-(3-nitrophenyl)-
CAS No: 88011-36-3 Catalog No: AG004H0B MDL No:
Product Description
Catalog Number:
AG004H0B
Chemical Name:
2,5-Pyrrolidinedione, 3,3-dimethyl-1-(3-nitrophenyl)-
CAS Number:
88011-36-3
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
3,3-dimethyl-1-(3-nitrophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H12N2O4/c1-12(2)7-10(15)13(11(12)16)8-4-3-5-9(6-8)14(17)18/h3-6H,7H2,1-2H3
InChI Key:
QZYJLGZCRFTMEM-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)N1c1cccc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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