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803705-91-1 | 1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-2-(3-phenylpropyl)-
CAS No: 803705-91-1 Catalog No: AG005M7J MDL No:
Product Description
Catalog Number:
AG005M7J
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-2-(3-phenylpropyl)-
CAS Number:
803705-91-1
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
6,7-dimethoxy-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C20H23NO3/c1-23-18-13-16-10-12-21(20(22)17(16)14-19(18)24-2)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChI Key:
GFLBLQDPOYGUKX-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN(C2=O)CCCc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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