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204636-06-6 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-phenyl-
CAS No: 204636-06-6 Catalog No: AG0029MT MDL No:
Product Description
Catalog Number:
AG0029MT
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-phenyl-
CAS Number:
204636-06-6
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline
InChI:
InChI=1S/C19H21NO2/c1-19(2)12-14-10-16(21-3)17(22-4)11-15(14)18(20-19)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChI Key:
QUMZJYWZNLLZMT-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CC(N=C2c1ccccc1)(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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