Home Carboxys 5-methylisoquinoline-1-carboxylic acid

5-methylisoquinoline-1-carboxylic acid

CAS No.:
1429787-92-7
Catalog Number:
AG01BX97
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG01BX97
Chemical Name:
5-methylisoquinoline-1-carboxylic acid
CAS Number:
1429787-92-7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD28681471
IUPAC Name:
5-methylisoquinoline-1-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
LPOPIJMVSXLDBN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc2c1cccc2C
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties