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143658-02-0 | 1(2H)-Isoquinolinone, 5,7-dimethoxy-3-phenyl-
CAS No: 143658-02-0 Catalog No: AG006U8X MDL No:
Product Description
Catalog Number:
AG006U8X
Chemical Name:
1(2H)-Isoquinolinone, 5,7-dimethoxy-3-phenyl-
CAS Number:
143658-02-0
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
5,7-dimethoxy-3-phenyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C17H15NO3/c1-20-12-8-14-13(16(9-12)21-2)10-15(18-17(14)19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
InChI Key:
HKVFACZBDUSTSV-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1cc([nH]c2=O)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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