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87665-07-4 | Isoquinoline, 3,4-dihydro-5,6-dimethoxy-3-methyl-
CAS No: 87665-07-4 Catalog No: AG008E3V MDL No:
Product Description
Catalog Number:
AG008E3V
Chemical Name:
Isoquinoline, 3,4-dihydro-5,6-dimethoxy-3-methyl-
CAS Number:
87665-07-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
5,6-dimethoxy-3-methyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C12H15NO2/c1-8-6-10-9(7-13-8)4-5-11(14-2)12(10)15-3/h4-5,7-8H,6H2,1-3H3
InChI Key:
VNVAOOMOQSDQGA-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CC(C)N=C2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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