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Home > Nitro Compounds > 91135-91-0
91135-91-0 | 1-(4-methoxy-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CAS No: 91135-91-0 Catalog No: AG019HM5 MDL No:MFCD00047120
Product Description
Catalog Number:
AG019HM5
Chemical Name:
1-(4-methoxy-2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CAS Number:
91135-91-0
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD00047120
IUPAC Name:
1-(4-methoxy-2-nitrophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C11H8N2O5/c1-18-7-2-3-8(9(6-7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChI Key:
ZHWGRLDBELYMCJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C=CC1=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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