Home Carboxys 5-nitroquinoline-8-carboxylic acid

5-nitroquinoline-8-carboxylic acid

CAS No.:
83848-59-3
Catalog Number:
AG01AHUF
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
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Product Description
Catalog Number:
AG01AHUF
Chemical Name:
5-nitroquinoline-8-carboxylic acid
CAS Number:
83848-59-3
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD01435910
IUPAC Name:
5-nitroquinoline-8-carboxylic acid
InChI:
InChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14)
InChI Key:
HXHZCOASPJWXPP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties