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20389-12-2 | 4-Quinolinecarboxylic acid, 2-phenyl-, 1-oxide
CAS No: 20389-12-2 Catalog No: AG002964 MDL No:
Product Description
Catalog Number:
AG002964
Chemical Name:
4-Quinolinecarboxylic acid, 2-phenyl-, 1-oxide
CAS Number:
20389-12-2
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
1-oxido-2-phenylquinolin-1-ium-4-carboxylic acid
InChI:
InChI=1S/C16H11NO3/c18-16(19)13-10-15(11-6-2-1-3-7-11)17(20)14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
InChI Key:
MELZYSXVKYEMGC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c2ccccc2)[n+](c2c1cccc2)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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