Home Carboxys 7-amino-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

7-amino-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

CAS No.:
1545047-94-6
Catalog Number:
AG01BF7A
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
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Product Description
Catalog Number:
AG01BF7A
Chemical Name:
7-amino-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS Number:
1545047-94-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD28118506
IUPAC Name:
7-amino-1-oxo-2H-isoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c11-5-1-2-6-7(3-5)9(13)12-4-8(6)10(14)15/h1-4H,11H2,(H,12,13)(H,14,15)
InChI Key:
KZULTKFSEHKIDZ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(=O)[nH]cc2C(=O)O
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties