Home Carboxys 1-Methoxyisoquinoline-3-carboxylic acid

1-Methoxyisoquinoline-3-carboxylic acid

CAS No.:
1094553-95-3
Catalog Number:
AG0094MY
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG0094MY
Chemical Name:
1-Methoxyisoquinoline-3-carboxylic acid
CAS Number:
1094553-95-3
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD11214764
IUPAC Name:
1-methoxyisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-15-10-8-5-3-2-4-7(8)6-9(12-10)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
NWNVQKMMXJLWEE-UHFFFAOYSA-N
SMILES:
COc1nc(cc2c1cccc2)C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties