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5578-98-3 | 5-methyl-5-phenylpyrrolidin-2-one
CAS No: 5578-98-3 Catalog No: AG01BDC2 MDL No:MFCD01687239
Product Description
Catalog Number:
AG01BDC2
Chemical Name:
5-methyl-5-phenylpyrrolidin-2-one
CAS Number:
5578-98-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD01687239
IUPAC Name:
5-methyl-5-phenylpyrrolidin-2-one
InChI:
InChI=1S/C11H13NO/c1-11(8-7-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChI Key:
QQPZUNZVKFTDSY-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)(C)c1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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