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88461-09-0 | 2,4-Pentanedione, 3-(1-methyl-5-oxo-4,4-diphenyl-2-pyrrolidinyl)-
CAS No: 88461-09-0 Catalog No: AG004CNG MDL No:
Product Description
Catalog Number:
AG004CNG
Chemical Name:
2,4-Pentanedione, 3-(1-methyl-5-oxo-4,4-diphenyl-2-pyrrolidinyl)-
CAS Number:
88461-09-0
Molecular Formula:
C22H23NO3
Molecular Weight:
349.4229
IUPAC Name:
3-(1-methyl-5-oxo-4,4-diphenylpyrrolidin-2-yl)pentane-2,4-dione
InChI:
InChI=1S/C22H23NO3/c1-15(24)20(16(2)25)19-14-22(21(26)23(19)3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,14H2,1-3H3
InChI Key:
VJRUVIRZGCNYIB-UHFFFAOYSA-N
SMILES:
CN1C(CC(C1=O)(c1ccccc1)c1ccccc1)C(C(=O)C)C(=O)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.168g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.43g/mol
Monoisotopic Mass:
349.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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