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Home > Pyridines > 622403-56-9
622403-56-9 | 1-(pyridin-3-yl)pentane-1,3-dione
CAS No: 622403-56-9 Catalog No: AG019Z8O MDL No:MFCD11185141
Product Description
Catalog Number:
AG019Z8O
Chemical Name:
1-(pyridin-3-yl)pentane-1,3-dione
CAS Number:
622403-56-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD11185141
IUPAC Name:
1-pyridin-3-ylpentane-1,3-dione
InChI:
InChI=1S/C10H11NO2/c1-2-9(12)6-10(13)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3
InChI Key:
LKKOIDNJVDVBEB-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)c1cccnc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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