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Home > Pyridines > 885950-54-9
885950-54-9 | 3-acetyl-6-tert-butyl-1,2-dihydropyridin-2-one
CAS No: 885950-54-9 Catalog No: AG00ITW3 MDL No:MFCD08056604
Product Description
Catalog Number:
AG00ITW3
Chemical Name:
3-acetyl-6-tert-butyl-1,2-dihydropyridin-2-one
CAS Number:
885950-54-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD08056604
IUPAC Name:
3-acetyl-6-tert-butyl-1H-pyridin-2-one
InChI:
InChI=1S/C11H15NO2/c1-7(13)8-5-6-9(11(2,3)4)12-10(8)14/h5-6H,1-4H3,(H,12,14)
InChI Key:
JHUIYLMJMURDCO-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc([nH]c1=O)C(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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