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64840-73-9 | 4(1H)-Pyridinone, 2,3-dimethyl-6-(3-methylbutyl)-
CAS No: 64840-73-9 Catalog No: AG00H5QX MDL No:
Product Description
Catalog Number:
AG00H5QX
Chemical Name:
4(1H)-Pyridinone, 2,3-dimethyl-6-(3-methylbutyl)-
CAS Number:
64840-73-9
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
2,3-dimethyl-6-(3-methylbutyl)-1H-pyridin-4-one
InChI:
InChI=1S/C12H19NO/c1-8(2)5-6-11-7-12(14)9(3)10(4)13-11/h7-8H,5-6H2,1-4H3,(H,13,14)
InChI Key:
DOMXNKBETQEUMO-UHFFFAOYSA-N
SMILES:
CC(CCc1cc(=O)c(c([nH]1)C)C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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