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157915-07-6

157915-07-6 | 6-Quinolinecarboxylic acid, 8-nitro-

CAS No: 157915-07-6 Catalog No: AG001PU3 MDL No:MFCD07440068

Product Description

Catalog Number:
AG001PU3
Chemical Name:
6-Quinolinecarboxylic acid, 8-nitro-
CAS Number:
157915-07-6
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD07440068
IUPAC Name:
8-nitroquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H6N2O4/c13-10(14)7-4-6-2-1-3-11-9(6)8(5-7)12(15)16/h1-5H,(H,13,14)
InChI Key:
IFLJJCFENDRBKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1nccc2)C(=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:
1.4  

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