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Home > Nitro Compounds > 197863-31-3
197863-31-3 | 3-Pyrazolidinone, 4,4-dimethyl-1-(4-nitrophenyl)-
CAS No: 197863-31-3 Catalog No: AG002B4F MDL No:
Product Description
Catalog Number:
AG002B4F
Chemical Name:
3-Pyrazolidinone, 4,4-dimethyl-1-(4-nitrophenyl)-
CAS Number:
197863-31-3
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
4,4-dimethyl-1-(4-nitrophenyl)pyrazolidin-3-one
InChI:
InChI=1S/C11H13N3O3/c1-11(2)7-13(12-10(11)15)8-3-5-9(6-4-8)14(16)17/h3-6H,7H2,1-2H3,(H,12,15)
InChI Key:
DHVBWPBPSZOPRE-UHFFFAOYSA-N
SMILES:
O=C1NN(CC1(C)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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