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1267014-64-1 | Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-4,4-dimethyl-
CAS No: 1267014-64-1 Catalog No: AG000T45 MDL No:
Product Description
Catalog Number:
AG000T45
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-4,4-dimethyl-
CAS Number:
1267014-64-1
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
5,6-dimethoxy-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19NO2/c1-13(2)8-14-7-9-5-6-10(15-3)12(16-4)11(9)13/h5-6,14H,7-8H2,1-4H3
InChI Key:
GNFFZMHGGPTYOQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)C(C)(C)CNC2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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