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158553-32-3 | 4-Piperidinone, 1-(3-methoxyphenyl)-
CAS No: 158553-32-3 Catalog No: AG001QAB MDL No:MFCD05864505
Product Description
Catalog Number:
AG001QAB
Chemical Name:
4-Piperidinone, 1-(3-methoxyphenyl)-
CAS Number:
158553-32-3
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD05864505
IUPAC Name:
1-(3-methoxyphenyl)piperidin-4-one
InChI:
InChI=1S/C12H15NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h2-4,9H,5-8H2,1H3
InChI Key:
FULBKNNHKLHNFY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1CCC(=O)CC1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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