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1245644-82-9 | 2-Piperidinone, 3-hydroxy-1-[(4-methoxyphenyl)methyl]-
CAS No: 1245644-82-9 Catalog No: AG000M9V MDL No:
Product Description
Catalog Number:
AG000M9V
Chemical Name:
2-Piperidinone, 3-hydroxy-1-[(4-methoxyphenyl)methyl]-
CAS Number:
1245644-82-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-17-11-6-4-10(5-7-11)9-14-8-2-3-12(15)13(14)16/h4-7,12,15H,2-3,8-9H2,1H3
InChI Key:
XHZFHAGIQPYPAM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCCC(C1=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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