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116046-46-9 | 1H-Pyrrole-3-carboxamide, 4,5-dihydro-4,5-dioxo-2-phenyl-
CAS No: 116046-46-9 Catalog No: AG000BGF MDL No:
Product Description
Catalog Number:
AG000BGF
Chemical Name:
1H-Pyrrole-3-carboxamide, 4,5-dihydro-4,5-dioxo-2-phenyl-
CAS Number:
116046-46-9
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
4-hydroxy-5-oxo-2-phenylpyrrole-3-carboxamide
InChI:
InChI=1S/C11H8N2O3/c12-10(15)7-8(13-11(16)9(7)14)6-4-2-1-3-5-6/h1-5H,(H2,12,15)(H,13,14,16)
InChI Key:
XSZBNSKBPUHFKD-UHFFFAOYSA-N
SMILES:
NC(=O)C1=C(NC(=O)C1=O)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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