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1248707-89-2 | 2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one
CAS No: 1248707-89-2 Catalog No: AG01C7LW MDL No:MFCD16748766
Product Description
Catalog Number:
AG01C7LW
Chemical Name:
2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one
CAS Number:
1248707-89-2
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD16748766
IUPAC Name:
2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one
InChI:
InChI=1S/C11H15NO/c1-8-6-5-7-12-9(8)10(13)11(2,3)4/h5-7H,1-4H3
InChI Key:
KBGILPXYOWNCLD-UHFFFAOYSA-N
SMILES:
Cc1cccnc1C(=O)C(C)(C)C
Properties
Complexity:
193
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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