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Home > Pyridines > 159956-78-2
159956-78-2 | 2-Pyrrolidinone, 3-hydroxy-1-(methyl-d3)-5-(3-pyridinyl)-, trans- (9CI)
CAS No: 159956-78-2 Catalog No: AG001RJG MDL No:
Product Description
Catalog Number:
AG001RJG
Chemical Name:
2-Pyrrolidinone, 3-hydroxy-1-(methyl-d3)-5-(3-pyridinyl)-, trans- (9CI)
CAS Number:
159956-78-2
Molecular Formula:
C10H9D3N2O2
Molecular Weight:
195.2330
IUPAC Name:
(3R,5S)-3-hydroxy-5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one
InChI:
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1/i1D3
InChI Key:
XOKCJXZZNAUIQN-IRPRQUBLSA-N
SMILES:
O=C1[C@@H](O)C[C@@H](N1C([2H])([2H])[2H])c1cccnc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
195.109g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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