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52180-97-9 | N-(4-QUINOLINYL)ANTHRANILIC ACID
CAS No: 52180-97-9 Catalog No: AG006VX9 MDL No:
Product Description
Catalog Number:
AG006VX9
Chemical Name:
N-(4-QUINOLINYL)ANTHRANILIC ACID
CAS Number:
52180-97-9
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
2-(quinolin-4-ylamino)benzoic acid
InChI:
InChI=1S/C16H12N2O2/c19-16(20)12-6-2-4-8-14(12)18-15-9-10-17-13-7-3-1-5-11(13)15/h1-10H,(H,17,18)(H,19,20)
InChI Key:
VAYWXCMEIWUYBK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccnc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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