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61780-11-8 | 3-(4-Hexylbenzoyl)pyridine
CAS No: 61780-11-8 Catalog No: AG01EWNW MDL No:
Product Description
Catalog Number:
AG01EWNW
Chemical Name:
3-(4-Hexylbenzoyl)pyridine
CAS Number:
61780-11-8
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
(4-hexylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C18H21NO/c1-2-3-4-5-7-15-9-11-16(12-10-15)18(20)17-8-6-13-19-14-17/h6,8-14H,2-5,7H2,1H3
InChI Key:
PELGAIUJRZEFDW-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1cccnc1
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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