Home Carboxys 3-Isoquinolinecarboxylicacid,5-amino-(9CI)

3-Isoquinolinecarboxylicacid,5-amino-(9CI)

CAS No.:
80066-71-3
Catalog Number:
AG00G9OU
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG00G9OU
Chemical Name:
3-Isoquinolinecarboxylicacid,5-amino-(9CI)
CAS Number:
80066-71-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11109652
IUPAC Name:
5-aminoisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8/h1-5H,11H2,(H,13,14)
InChI Key:
BUAXJCKIRCBFJJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)c(N)ccc2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties