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87664-94-6 | Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-
CAS No: 87664-94-6 Catalog No: AG004H6S MDL No:
Product Description
Catalog Number:
AG004H6S
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2,3-dimethyl-
CAS Number:
87664-94-6
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
5,6-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19NO2/c1-9-7-11-10(8-14(9)2)5-6-12(15-3)13(11)16-4/h5-6,9H,7-8H2,1-4H3
InChI Key:
JQBVOJYDRRUVRZ-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CC(C)N(C2)C
Properties
Complexity:
234
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:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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