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15865-21-1 | 2-Piperidinone, 1-octyl-
CAS No: 15865-21-1 Catalog No: AG001QQE MDL No:
Product Description
Catalog Number:
AG001QQE
Chemical Name:
2-Piperidinone, 1-octyl-
CAS Number:
15865-21-1
Molecular Formula:
C13H25NO
Molecular Weight:
211.3437
IUPAC Name:
1-octylpiperidin-2-one
InChI:
InChI=1S/C13H25NO/c1-2-3-4-5-6-8-11-14-12-9-7-10-13(14)15/h2-12H2,1H3
InChI Key:
ZDXNJANWAOQLOO-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1CCCCC1=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.194g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.349g/mol
Monoisotopic Mass:
211.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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