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1187166-90-0 | 4-(4-Propylbenzoyl)isoquinoline
CAS No: 1187166-90-0 Catalog No: AG01FETE MDL No:
Product Description
Catalog Number:
AG01FETE
Chemical Name:
4-(4-Propylbenzoyl)isoquinoline
CAS Number:
1187166-90-0
Molecular Formula:
C19H17NO
Molecular Weight:
275.3444
IUPAC Name:
isoquinolin-4-yl-(4-propylphenyl)methanone
InChI:
InChI=1S/C19H17NO/c1-2-5-14-8-10-15(11-9-14)19(21)18-13-20-12-16-6-3-4-7-17(16)18/h3-4,6-13H,2,5H2,1H3
InChI Key:
HOEQAWRCUVBPLL-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.351g/mol
Monoisotopic Mass:
275.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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