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121064-15-1 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1,3,3-trimethyl-
CAS No: 121064-15-1 Catalog No: AG007P9F MDL No:
Product Description
Catalog Number:
AG007P9F
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1,3,3-trimethyl-
CAS Number:
121064-15-1
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
6,7-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
InChI:
InChI=1S/C14H19NO2/c1-9-11-7-13(17-5)12(16-4)6-10(11)8-14(2,3)15-9/h6-7H,8H2,1-5H3
InChI Key:
GHDJZAVHDPGMGK-UHFFFAOYSA-N
SMILES:
COc1cc2CC(C)(C)N=C(c2cc1OC)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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