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1187171-78-3 | 4-(2,4-Dimethoxybenzoyl)isoquinoline
CAS No: 1187171-78-3 Catalog No: AG01FDEX MDL No:
Product Description
Catalog Number:
AG01FDEX
Chemical Name:
4-(2,4-Dimethoxybenzoyl)isoquinoline
CAS Number:
1187171-78-3
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
(2,4-dimethoxyphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C18H15NO3/c1-21-13-7-8-15(17(9-13)22-2)18(20)16-11-19-10-12-5-3-4-6-14(12)16/h3-11H,1-2H3
InChI Key:
AEVOGXUGUFHOFZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1C(=O)c1cncc2c1cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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