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Home > Pyridines > 898779-98-1
898779-98-1 | 2-(4-HEPTYLBENZOYL)PYRIDINE
CAS No: 898779-98-1 Catalog No: AG00GWAM MDL No:
Product Description
Catalog Number:
AG00GWAM
Chemical Name:
2-(4-HEPTYLBENZOYL)PYRIDINE
CAS Number:
898779-98-1
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
(4-heptylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C19H23NO/c1-2-3-4-5-6-9-16-11-13-17(14-12-16)19(21)18-10-7-8-15-20-18/h7-8,10-15H,2-6,9H2,1H3
InChI Key:
MJQQTRUIJSYSPO-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1ccccn1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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