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91652-65-2 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-[(2-methylphenyl)methyl]-
CAS No: 91652-65-2 Catalog No: AG006RJ6 MDL No:
Product Description
Catalog Number:
AG006RJ6
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-[(2-methylphenyl)methyl]-
CAS Number:
91652-65-2
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
6,7-dimethoxy-1-[(2-methylphenyl)methyl]-3,4-dihydroisoquinoline
InChI:
InChI=1S/C19H21NO2/c1-13-6-4-5-7-14(13)10-17-16-12-19(22-3)18(21-2)11-15(16)8-9-20-17/h4-7,11-12H,8-10H2,1-3H3
InChI Key:
LLEODZRGXQFIOS-UHFFFAOYSA-N
SMILES:
COc1cc2C(=NCCc2cc1OC)Cc1ccccc1C
Properties
Complexity:
395
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:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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