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893738-37-9 | 2-Furancarboxylic acid,5-(3-quinolinyl)-
CAS No: 893738-37-9 Catalog No: AG003WGG MDL No:
Product Description
Catalog Number:
AG003WGG
Chemical Name:
2-Furancarboxylic acid,5-(3-quinolinyl)-
CAS Number:
893738-37-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
5-(2-methylquinolin-6-yl)furan-2-carboxylic acid
InChI:
InChI=1S/C15H11NO3/c1-9-2-3-10-8-11(4-5-12(10)16-9)13-6-7-14(19-13)15(17)18/h2-8H,1H3,(H,17,18)
InChI Key:
LCQOSKUJVKYPBB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)ccc(c2)c1ccc(o1)C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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