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81835-75-8 | 4-Piperidinone, 2-(3-methoxyphenyl)-3-methyl-, trans-
CAS No: 81835-75-8 Catalog No: AG005HU4 MDL No:
Product Description
Catalog Number:
AG005HU4
Chemical Name:
4-Piperidinone, 2-(3-methoxyphenyl)-3-methyl-, trans-
CAS Number:
81835-75-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
(2R,3S)-2-(3-methoxyphenyl)-3-methylpiperidin-4-one
InChI:
InChI=1S/C13H17NO2/c1-9-12(15)6-7-14-13(9)10-4-3-5-11(8-10)16-2/h3-5,8-9,13-14H,6-7H2,1-2H3/t9-,13-/m1/s1
InChI Key:
WIPDHRHKHOIEGQ-NOZJJQNGSA-N
SMILES:
COc1cccc(c1)[C@@H]1NCCC(=O)[C@H]1C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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