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77303-07-2 | 1H-Pyrrole-2,5-dione, 1-benzoyl-
CAS No: 77303-07-2 Catalog No: AG005CZM MDL No:
Product Description
Catalog Number:
AG005CZM
Chemical Name:
1H-Pyrrole-2,5-dione, 1-benzoyl-
CAS Number:
77303-07-2
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
IUPAC Name:
1-benzoylpyrrole-2,5-dione
InChI:
InChI=1S/C11H7NO3/c13-9-6-7-10(14)12(9)11(15)8-4-2-1-3-5-8/h1-7H
InChI Key:
PNKYZWFZXACNOK-UHFFFAOYSA-N
SMILES:
O=C(N1C(=O)C=CC1=O)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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