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Home > Pyridines > 898779-94-7
898779-94-7 | 2-(4-PENTYLBENZOYL)PYRIDINE
CAS No: 898779-94-7 Catalog No: AG00GWLM MDL No:
Product Description
Catalog Number:
AG00GWLM
Chemical Name:
2-(4-PENTYLBENZOYL)PYRIDINE
CAS Number:
898779-94-7
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(4-pentylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C17H19NO/c1-2-3-4-7-14-9-11-15(12-10-14)17(19)16-8-5-6-13-18-16/h5-6,8-13H,2-4,7H2,1H3
InChI Key:
CJANXBBEIJYIOR-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1ccccn1
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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