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Home > Pyridines > 898779-96-9
898779-96-9 | 2-(4-HEXYLBENZOYL)PYRIDINE
CAS No: 898779-96-9 Catalog No: AG00GW7Z MDL No:
Product Description
Catalog Number:
AG00GW7Z
Chemical Name:
2-(4-HEXYLBENZOYL)PYRIDINE
CAS Number:
898779-96-9
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
(4-hexylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C18H21NO/c1-2-3-4-5-8-15-10-12-16(13-11-15)18(20)17-9-6-7-14-19-17/h6-7,9-14H,2-5,8H2,1H3
InChI Key:
NWBHFRJJBZEATD-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1ccccn1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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