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113826-45-2 | 2-Piperidinone, 1-hexadecyl-
CAS No: 113826-45-2 Catalog No: AG0009TI MDL No:
Product Description
Catalog Number:
AG0009TI
Chemical Name:
2-Piperidinone, 1-hexadecyl-
CAS Number:
113826-45-2
Molecular Formula:
C21H41NO
Molecular Weight:
323.5563
IUPAC Name:
1-hexadecylpiperidin-2-one
InChI:
InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21(22)23/h2-20H2,1H3
InChI Key:
VLVIXFWRHZWZSL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN1CCCCC1=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.319g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.565g/mol
Monoisotopic Mass:
323.319g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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