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898779-68-5 | 2-METHYLBUTYL 2-PYRIDYL KETONE
CAS No: 898779-68-5 Catalog No: AG00GWIR MDL No:
Product Description
Catalog Number:
AG00GWIR
Chemical Name:
2-METHYLBUTYL 2-PYRIDYL KETONE
CAS Number:
898779-68-5
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
3-methyl-1-pyridin-2-ylpentan-1-one
InChI:
InChI=1S/C11H15NO/c1-3-9(2)8-11(13)10-6-4-5-7-12-10/h4-7,9H,3,8H2,1-2H3
InChI Key:
WVHFATGEYVXGFN-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)c1ccccn1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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