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309720-09-0 | 3(2H)-Isoquinolinone, 1-ethyl-6,7-dimethoxy-2-(phenylmethyl)-
CAS No: 309720-09-0 Catalog No: AG0031SQ MDL No:
Product Description
Catalog Number:
AG0031SQ
Chemical Name:
3(2H)-Isoquinolinone, 1-ethyl-6,7-dimethoxy-2-(phenylmethyl)-
CAS Number:
309720-09-0
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
IUPAC Name:
2-benzyl-1-ethyl-6,7-dimethoxyisoquinolin-3-one
InChI:
InChI=1S/C20H21NO3/c1-4-17-16-12-19(24-3)18(23-2)10-15(16)11-20(22)21(17)13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3
InChI Key:
PONHVVGNWXCWSX-UHFFFAOYSA-N
SMILES:
CCc1c2cc(OC)c(cc2cc(=O)n1Cc1ccccc1)OC
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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