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7399-20-4 | 4-benzoyl-1-benzylpyrrolidine-2,3-dione
CAS No: 7399-20-4 Catalog No: AG005IQ2 MDL No:
Product Description
Catalog Number:
AG005IQ2
Chemical Name:
4-benzoyl-1-benzylpyrrolidine-2,3-dione
CAS Number:
7399-20-4
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
4-benzoyl-1-benzylpyrrolidine-2,3-dione
InChI:
InChI=1S/C18H15NO3/c20-16(14-9-5-2-6-10-14)15-12-19(18(22)17(15)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChI Key:
FIRIWTSTHPSGFT-UHFFFAOYSA-N
SMILES:
O=C(C1CN(C(=O)C1=O)Cc1ccccc1)c1ccccc1
NSC Number:
55180
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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