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Home > Pyridines > 115849-80-4
115849-80-4 | 1-Dodecanone, 3-hydroxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS No: 115849-80-4 Catalog No: AG000GY0 MDL No:
Product Description
Catalog Number:
AG000GY0
Chemical Name:
1-Dodecanone, 3-hydroxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS Number:
115849-80-4
Molecular Formula:
C21H34N2O2
Molecular Weight:
346.5069
IUPAC Name:
3-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)dodecan-1-one
InChI:
InChI=1S/C21H34N2O2/c1-2-3-4-5-6-7-8-12-19(24)16-21(25)23-15-10-13-20(23)18-11-9-14-22-17-18/h9,11,14,17,19-20,24H,2-8,10,12-13,15-16H2,1H3
InChI Key:
JGBQFPNIVVCRRV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CC(=O)N1CCCC1c1cccnc1)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.262g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.515g/mol
Monoisotopic Mass:
346.262g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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