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4594-02-9 | Isoquinoline, 6,7-dimethoxy-1-methyl- (7CI,8CI,9CI)
CAS No: 4594-02-9 Catalog No: AG00DHI8 MDL No:
Product Description
Catalog Number:
AG00DHI8
Chemical Name:
Isoquinoline, 6,7-dimethoxy-1-methyl- (7CI,8CI,9CI)
CAS Number:
4594-02-9
IUPAC Name:
6,7-dimethoxy-1-methylisoquinoline
InChI:
InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
InChI Key:
VBMZFACBWDZUSM-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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