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64840-74-0 | 4(1H)-Pyridinone, 2,3-dimethyl-6-(3-methylhexyl)-
CAS No: 64840-74-0 Catalog No: AG00H5QW MDL No:
Product Description
Catalog Number:
AG00H5QW
Chemical Name:
4(1H)-Pyridinone, 2,3-dimethyl-6-(3-methylhexyl)-
CAS Number:
64840-74-0
Molecular Formula:
C14H23NO
Molecular Weight:
221.3385
IUPAC Name:
2,3-dimethyl-6-(3-methylhexyl)-1H-pyridin-4-one
InChI:
InChI=1S/C14H23NO/c1-5-6-10(2)7-8-13-9-14(16)11(3)12(4)15-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChI Key:
LLSPNCMIRJUNSK-UHFFFAOYSA-N
SMILES:
CCCC(CCc1cc(=O)c(c([nH]1)C)C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.344g/mol
Monoisotopic Mass:
221.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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