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1187166-11-5 | 4-(4-Methoxybenzoyl)isoquinoline
CAS No: 1187166-11-5 Catalog No: AG01FEKH MDL No:
Product Description
Catalog Number:
AG01FEKH
Chemical Name:
4-(4-Methoxybenzoyl)isoquinoline
CAS Number:
1187166-11-5
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
isoquinolin-4-yl-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C17H13NO2/c1-20-14-8-6-12(7-9-14)17(19)16-11-18-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChI Key:
HXQUYLAPWZHIFX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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