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848132-92-3 | 2-Piperidinone, 6-hydroxy-3,3-dimethyl-6-phenyl-
CAS No: 848132-92-3 Catalog No: AG004QXD MDL No:
Product Description
Catalog Number:
AG004QXD
Chemical Name:
2-Piperidinone, 6-hydroxy-3,3-dimethyl-6-phenyl-
CAS Number:
848132-92-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
6-hydroxy-3,3-dimethyl-6-phenylpiperidin-2-one
InChI:
InChI=1S/C13H17NO2/c1-12(2)8-9-13(16,14-11(12)15)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,14,15)
InChI Key:
BNNMGCRKVQYXJM-UHFFFAOYSA-N
SMILES:
O=C1NC(O)(CCC1(C)C)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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