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61779-99-5 | 3-(4-Butylbenzoyl)pyridine
CAS No: 61779-99-5 Catalog No: AG01EWNS MDL No:
Product Description
Catalog Number:
AG01EWNS
Chemical Name:
3-(4-Butylbenzoyl)pyridine
CAS Number:
61779-99-5
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
(4-butylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C16H17NO/c1-2-3-5-13-7-9-14(10-8-13)16(18)15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3
InChI Key:
KDVDQCINYSJLSM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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