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61780-10-7 | 3-(4-Pentylbenzoyl)pyridine
CAS No: 61780-10-7 Catalog No: AG01EWNV MDL No:
Product Description
Catalog Number:
AG01EWNV
Chemical Name:
3-(4-Pentylbenzoyl)pyridine
CAS Number:
61780-10-7
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(4-pentylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C17H19NO/c1-2-3-4-6-14-8-10-15(11-9-14)17(19)16-7-5-12-18-13-16/h5,7-13H,2-4,6H2,1H3
InChI Key:
JZDNLUYKFBSNSK-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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