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61780-07-2 | 3-(4-Propylbenzoyl)pyridine
CAS No: 61780-07-2 Catalog No: AG01EWNU MDL No:
Product Description
Catalog Number:
AG01EWNU
Chemical Name:
3-(4-Propylbenzoyl)pyridine
CAS Number:
61780-07-2
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
(4-propylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C15H15NO/c1-2-4-12-6-8-13(9-7-12)15(17)14-5-3-10-16-11-14/h3,5-11H,2,4H2,1H3
InChI Key:
DORLEGHSISLUMX-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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