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87664-82-2 | Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS No: 87664-82-2 Catalog No: AG004O0L MDL No:
Product Description
Catalog Number:
AG004O0L
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS Number:
87664-82-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17NO2/c1-13-7-6-10-9(8-13)4-5-11(14-2)12(10)15-3/h4-5H,6-8H2,1-3H3
InChI Key:
HHVOIBSWCXRZJW-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CCN(C2)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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