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1187166-96-6 | 4-(4-Propoxybenzoyl)isoquinoline
CAS No: 1187166-96-6 Catalog No: AG01FEKK MDL No:
Product Description
Catalog Number:
AG01FEKK
Chemical Name:
4-(4-Propoxybenzoyl)isoquinoline
CAS Number:
1187166-96-6
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
isoquinolin-4-yl-(4-propoxyphenyl)methanone
InChI:
InChI=1S/C19H17NO2/c1-2-11-22-16-9-7-14(8-10-16)19(21)18-13-20-12-15-5-3-4-6-17(15)18/h3-10,12-13H,2,11H2,1H3
InChI Key:
RAHWDSZBOYJXLQ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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