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893740-62-0 | 5-(3-Quinolinyl)nicotinic acid
CAS No: 893740-62-0 Catalog No: AG01EYRJ MDL No:
Product Description
Catalog Number:
AG01EYRJ
Chemical Name:
5-(3-Quinolinyl)nicotinic acid
CAS Number:
893740-62-0
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
5-quinolin-3-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C15H10N2O2/c18-15(19)13-6-11(7-16-8-13)12-5-10-3-1-2-4-14(10)17-9-12/h1-9H,(H,18,19)
InChI Key:
HOJVOZVGYHGJNI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1cnc2c(c1)cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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