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89118-76-3 | 4,7-Quinolinedicarboxylicacid
CAS No: 89118-76-3 Catalog No: AG003YZ9 MDL No:
Product Description
Catalog Number:
AG003YZ9
Chemical Name:
4,7-Quinolinedicarboxylicacid
CAS Number:
89118-76-3
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
IUPAC Name:
quinoline-4,7-dicarboxylic acid
InChI:
InChI=1S/C11H7NO4/c13-10(14)6-1-2-7-8(11(15)16)3-4-12-9(7)5-6/h1-5H,(H,13,14)(H,15,16)
InChI Key:
ZTGFXCFSVVYDEX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nccc2C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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