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Home > Nitro Compounds > 31036-66-5
31036-66-5 | 2,5-Pyrrolidinedione, 1-(3-nitrophenyl)-
CAS No: 31036-66-5 Catalog No: AG0031YN MDL No:MFCD00158649
Product Description
Catalog Number:
AG0031YN
Chemical Name:
2,5-Pyrrolidinedione, 1-(3-nitrophenyl)-
CAS Number:
31036-66-5
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00158649
IUPAC Name:
1-(3-nitrophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H8N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-3,6H,4-5H2
InChI Key:
PPYFJTUOESMJPP-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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