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87954-17-4 | Isoquinoline, 1,3-dimethoxy-
CAS No: 87954-17-4 Catalog No: AG004GA2 MDL No:
Product Description
Catalog Number:
AG004GA2
Chemical Name:
Isoquinoline, 1,3-dimethoxy-
CAS Number:
87954-17-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1,3-dimethoxyisoquinoline
InChI:
InChI=1S/C11H11NO2/c1-13-10-7-8-5-3-4-6-9(8)11(12-10)14-2/h3-7H,1-2H3
InChI Key:
WCRZVVKTTYYJPR-UHFFFAOYSA-N
SMILES:
COc1nc(OC)cc2c1cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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