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118078-26-5 | 3-Quinolinecarboxylic acid, 7-cyano-4-hydroxy-
CAS No: 118078-26-5 Catalog No: AG000IDK MDL No:
Product Description
Catalog Number:
AG000IDK
Chemical Name:
3-Quinolinecarboxylic acid, 7-cyano-4-hydroxy-
CAS Number:
118078-26-5
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
IUPAC Name:
7-cyano-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H6N2O3/c12-4-6-1-2-7-9(3-6)13-5-8(10(7)14)11(15)16/h1-3,5H,(H,13,14)(H,15,16)
InChI Key:
QKBVDRBQCUYVAP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncc(c2O)C(=O)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.18g/mol
Monoisotopic Mass:
214.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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