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83287-04-1 | Benzoic acid, 2-(6,7-dimethoxy-1-isoquinolinyl)-5-methoxy-
CAS No: 83287-04-1 Catalog No: AG0055VB MDL No:
Product Description
Catalog Number:
AG0055VB
Chemical Name:
Benzoic acid, 2-(6,7-dimethoxy-1-isoquinolinyl)-5-methoxy-
CAS Number:
83287-04-1
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
IUPAC Name:
2-(6,7-dimethoxyisoquinolin-1-yl)-5-methoxybenzoic acid
InChI:
InChI=1S/C19H17NO5/c1-23-12-4-5-13(15(9-12)19(21)22)18-14-10-17(25-3)16(24-2)8-11(14)6-7-20-18/h4-10H,1-3H3,(H,21,22)
InChI Key:
IVFUIBMLKMCJOL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)c1nccc2c1cc(OC)c(c2)OC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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