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61780-08-3 | 3-[4-(propan-2-yl)benzoyl]pyridine
CAS No: 61780-08-3 Catalog No: AG01AGKG MDL No:MFCD12094682
Product Description
Catalog Number:
AG01AGKG
Chemical Name:
3-[4-(propan-2-yl)benzoyl]pyridine
CAS Number:
61780-08-3
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
MDL Number:
MFCD12094682
IUPAC Name:
(4-propan-2-ylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C15H15NO/c1-11(2)12-5-7-13(8-6-12)15(17)14-4-3-9-16-10-14/h3-11H,1-2H3
InChI Key:
QVRWUFBLEVYYJA-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)c1ccc(cc1)C(C)C
Properties
Complexity:
254
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:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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