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61780-09-4 | 3-(4-tert-butylbenzoyl)pyridine
CAS No: 61780-09-4 Catalog No: AG00X25O MDL No:MFCD11544990
Product Description
Catalog Number:
AG00X25O
Chemical Name:
3-(4-tert-butylbenzoyl)pyridine
CAS Number:
61780-09-4
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD11544990
IUPAC Name:
(4-tert-butylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C16H17NO/c1-16(2,3)14-8-6-12(7-9-14)15(18)13-5-4-10-17-11-13/h4-11H,1-3H3
InChI Key:
GTFKVWMPDAGUIR-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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