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88461-02-3 | 2-Pyrrolidinone, 5-hydroxy-4-methyl-1,4-diphenyl-
CAS No: 88461-02-3 Catalog No: AG004CNI MDL No:
Product Description
Catalog Number:
AG004CNI
Chemical Name:
2-Pyrrolidinone, 5-hydroxy-4-methyl-1,4-diphenyl-
CAS Number:
88461-02-3
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
5-hydroxy-4-methyl-1,4-diphenylpyrrolidin-2-one
InChI:
InChI=1S/C17H17NO2/c1-17(13-8-4-2-5-9-13)12-15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11,16,20H,12H2,1H3
InChI Key:
NTNMNZMVCSTLJQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C(N1c1ccccc1)O)(C)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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