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1187166-53-5 | 4-(4-Ethoxybenzoyl)isoquinoline
CAS No: 1187166-53-5 Catalog No: AG01FETB MDL No:
Product Description
Catalog Number:
AG01FETB
Chemical Name:
4-(4-Ethoxybenzoyl)isoquinoline
CAS Number:
1187166-53-5
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
(4-ethoxyphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C18H15NO2/c1-2-21-15-9-7-13(8-10-15)18(20)17-12-19-11-14-5-3-4-6-16(14)17/h3-12H,2H2,1H3
InChI Key:
XGKNADGEQZXDPJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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