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Home > Pyridines > 1250146-85-0
1250146-85-0 | 1-Octanone, 1-(3-pyridinyl)-
CAS No: 1250146-85-0 Catalog No: AG000MZE MDL No:MFCD16819445
Product Description
Catalog Number:
AG000MZE
Chemical Name:
1-Octanone, 1-(3-pyridinyl)-
CAS Number:
1250146-85-0
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD16819445
IUPAC Name:
1-pyridin-3-yloctan-1-one
InChI:
InChI=1S/C13H19NO/c1-2-3-4-5-6-9-13(15)12-8-7-10-14-11-12/h7-8,10-11H,2-6,9H2,1H3
InChI Key:
HXYIZHKBIDOHKS-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1cccnc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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