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Home > Pyridines > 1159819-76-7
1159819-76-7 | 2(1H)-Pyridinone, 5-(1,1-dimethylethyl)-
CAS No: 1159819-76-7 Catalog No: AG000HAD MDL No:MFCD12033221
Product Description
Catalog Number:
AG000HAD
Chemical Name:
2(1H)-Pyridinone, 5-(1,1-dimethylethyl)-
CAS Number:
1159819-76-7
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD12033221
IUPAC Name:
5-tert-butyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H13NO/c1-9(2,3)7-4-5-8(11)10-6-7/h4-6H,1-3H3,(H,10,11)
InChI Key:
LHRUDEBUIUHOFL-UHFFFAOYSA-N
SMILES:
O=c1ccc(c[nH]1)C(C)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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