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200629-39-6 | 2-Pyrrolidinone, 4-(4-methoxyphenyl)-5-(2-pyridinyl)-, (4R,5S)-
CAS No: 200629-39-6 Catalog No: AG002CW3 MDL No:
Product Description
Catalog Number:
AG002CW3
Chemical Name:
2-Pyrrolidinone, 4-(4-methoxyphenyl)-5-(2-pyridinyl)-, (4R,5S)-
CAS Number:
200629-39-6
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
(4R,5S)-4-(4-methoxyphenyl)-5-pyridin-2-ylpyrrolidin-2-one
InChI:
InChI=1S/C16H16N2O2/c1-20-12-7-5-11(6-8-12)13-10-15(19)18-16(13)14-4-2-3-9-17-14/h2-9,13,16H,10H2,1H3,(H,18,19)/t13-,16+/m1/s1
InChI Key:
YBWBIXISXCYOCC-CJNGLKHVSA-N
SMILES:
COc1ccc(cc1)[C@H]1CC(=O)N[C@@H]1c1ccccn1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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