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17392-67-5

17392-67-5 | 1H-Pyrrole-2,5-dione, 1-(2-methoxy-5-nitrophenyl)-

CAS No: 17392-67-5 Catalog No: AG001ZAN MDL No:MFCD00523329

Product Description

Catalog Number:
AG001ZAN
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(2-methoxy-5-nitrophenyl)-
CAS Number:
17392-67-5
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD00523329
IUPAC Name:
1-(2-methoxy-5-nitrophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C11H8N2O5/c1-18-9-3-2-7(13(16)17)6-8(9)12-10(14)4-5-11(12)15/h2-6H,1H3
InChI Key:
RQSBMFYAHQPZGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1C(=O)C=CC1=O)[N+](=O)[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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