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188553-89-1 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(3-methoxyphenyl)-
CAS No: 188553-89-1 Catalog No: AG002GYV MDL No:
Product Description
Catalog Number:
AG002GYV
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(3-methoxyphenyl)-
CAS Number:
188553-89-1
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
6,7-dimethoxy-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C18H21NO3/c1-20-14-6-4-5-13(9-14)18-15-11-17(22-3)16(21-2)10-12(15)7-8-19-18/h4-6,9-11,18-19H,7-8H2,1-3H3
InChI Key:
YXWSSJFORTVBKI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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