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Home > Nitro Compounds > 13051-13-3
13051-13-3 | 3-Pyrazolidinone, 5-methyl-4-(4-nitrophenyl)-
CAS No: 13051-13-3 Catalog No: AG000UJA MDL No:
Product Description
Catalog Number:
AG000UJA
Chemical Name:
3-Pyrazolidinone, 5-methyl-4-(4-nitrophenyl)-
CAS Number:
13051-13-3
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
5-methyl-4-(4-nitrophenyl)pyrazolidin-3-one
InChI:
InChI=1S/C10H11N3O3/c1-6-9(10(14)12-11-6)7-2-4-8(5-3-7)13(15)16/h2-6,9,11H,1H3,(H,12,14)
InChI Key:
UCVOGOBPJUGZJL-UHFFFAOYSA-N
SMILES:
CC1NNC(=O)C1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
109912
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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