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100004-92-0 | 4-Pyridinecarboxylic acid, 2-(2-naphthalenyl)-
CAS No: 100004-92-0 Catalog No: AG0000A3 MDL No:
Product Description
Catalog Number:
AG0000A3
Chemical Name:
4-Pyridinecarboxylic acid, 2-(2-naphthalenyl)-
CAS Number:
100004-92-0
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
2-naphthalen-2-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)14-7-8-17-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19)
InChI Key:
JKNXWLTZXMLVLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1ccc2c(c1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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