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53872-97-2 | 3-methyl-1-(pyridin-3-yl)butan-2-one
CAS No: 53872-97-2 Catalog No: AG01BGL6 MDL No:MFCD16786223
Product Description
Catalog Number:
AG01BGL6
Chemical Name:
3-methyl-1-(pyridin-3-yl)butan-2-one
CAS Number:
53872-97-2
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD16786223
IUPAC Name:
3-methyl-1-pyridin-3-ylbutan-2-one
InChI:
InChI=1S/C10H13NO/c1-8(2)10(12)6-9-4-3-5-11-7-9/h3-5,7-8H,6H2,1-2H3
InChI Key:
CFWGQBCVKJHGSF-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Cc1cccnc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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