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Home > Pyridines > 1187171-20-5
1187171-20-5 | 3-(4-Heptyloxybenzoyl)pyridine
CAS No: 1187171-20-5 Catalog No: AG01FF02 MDL No:
Product Description
Catalog Number:
AG01FF02
Chemical Name:
3-(4-Heptyloxybenzoyl)pyridine
CAS Number:
1187171-20-5
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
(4-heptoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C19H23NO2/c1-2-3-4-5-6-14-22-18-11-9-16(10-12-18)19(21)17-8-7-13-20-15-17/h7-13,15H,2-6,14H2,1H3
InChI Key:
RAYLUWAMXLAAMW-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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