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89454-87-5 | 4(1H)-Pyridinone, 2,3-dimethyl-6-(7-octenyl)-
CAS No: 89454-87-5 Catalog No: AG00447Y MDL No:
Product Description
Catalog Number:
AG00447Y
Chemical Name:
4(1H)-Pyridinone, 2,3-dimethyl-6-(7-octenyl)-
CAS Number:
89454-87-5
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
IUPAC Name:
2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one
InChI:
InChI=1S/C15H23NO/c1-4-5-6-7-8-9-10-14-11-15(17)12(2)13(3)16-14/h4,11H,1,5-10H2,2-3H3,(H,16,17)
InChI Key:
BUBCZVZICNROPB-UHFFFAOYSA-N
SMILES:
C=CCCCCCCc1cc(=O)c(c([nH]1)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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