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1187171-69-2 | 4-(4-Hexyloxybenzoyl)isoquinoline
CAS No: 1187171-69-2 Catalog No: AG01FEBH MDL No:
Product Description
Catalog Number:
AG01FEBH
Chemical Name:
4-(4-Hexyloxybenzoyl)isoquinoline
CAS Number:
1187171-69-2
Molecular Formula:
C22H23NO2
Molecular Weight:
333.4235
IUPAC Name:
(4-hexoxyphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C22H23NO2/c1-2-3-4-7-14-25-19-12-10-17(11-13-19)22(24)21-16-23-15-18-8-5-6-9-20(18)21/h5-6,8-13,15-16H,2-4,7,14H2,1H3
InChI Key:
ZHSLESLRWSRRCW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.431g/mol
Monoisotopic Mass:
333.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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