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59576-30-6 | 2-Methyl-1-(pyridin-2-yl)propan-1-one
CAS No: 59576-30-6 Catalog No: AG003R4L MDL No:MFCD00778577
Product Description
Catalog Number:
AG003R4L
Chemical Name:
2-Methyl-1-(pyridin-2-yl)propan-1-one
CAS Number:
59576-30-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD00778577
IUPAC Name:
2-methyl-1-pyridin-2-ylpropan-1-one
InChI:
InChI=1S/C9H11NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-7H,1-2H3
InChI Key:
OPPJOYDMQXHCFS-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccn1)C
EC Number:
261-814-1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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