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21916-52-9 | 1-Butyl-4,6-diphenyl-1,2-dihydropyridin-2-one
CAS No: 21916-52-9 Catalog No: AG01EUJ7 MDL No:
Product Description
Catalog Number:
AG01EUJ7
Chemical Name:
1-Butyl-4,6-diphenyl-1,2-dihydropyridin-2-one
CAS Number:
21916-52-9
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
1-butyl-4,6-diphenylpyridin-2-one
InChI:
InChI=1S/C21H21NO/c1-2-3-14-22-20(18-12-8-5-9-13-18)15-19(16-21(22)23)17-10-6-4-7-11-17/h4-13,15-16H,2-3,14H2,1H3
InChI Key:
WXXOVJUIJFVKLC-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)cc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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