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61780-00-5 | 3-(4-Heptylbenzoyl)pyridine
CAS No: 61780-00-5 Catalog No: AG01EWNT MDL No:
Product Description
Catalog Number:
AG01EWNT
Chemical Name:
3-(4-Heptylbenzoyl)pyridine
CAS Number:
61780-00-5
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
(4-heptylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C19H23NO/c1-2-3-4-5-6-8-16-10-12-17(13-11-16)19(21)18-9-7-14-20-15-18/h7,9-15H,2-6,8H2,1H3
InChI Key:
SWXYSOZSCPJAAF-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1cccnc1
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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