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131124-59-9

131124-59-9 | Benzoic acid, 4-[(2-formyl-3-quinolinyl)carbonyl]-

CAS No: 131124-59-9 Catalog No: AG000VK2 MDL No:

Product Description

Catalog Number:
AG000VK2
Chemical Name:
Benzoic acid, 4-[(2-formyl-3-quinolinyl)carbonyl]-
CAS Number:
131124-59-9
Molecular Formula:
C18H11NO4
Molecular Weight:
305.2842
IUPAC Name:
4-(2-formylquinoline-3-carbonyl)benzoic acid
InChI:
InChI=1S/C18H11NO4/c20-10-16-14(9-13-3-1-2-4-15(13)19-16)17(21)11-5-7-12(8-6-11)18(22)23/h1-10H,(H,22,23)
InChI Key:
MWNLTKCQHFZFHN-UHFFFAOYSA-N
SMILES:
O=Cc1nc2ccccc2cc1C(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.069g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.289g/mol
Monoisotopic Mass:
305.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

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