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100004-93-1 | 4-Pyridinecarboxylic acid, 2-(1-naphthalenyl)-
CAS No: 100004-93-1 Catalog No: AG0000A2 MDL No:
Product Description
Catalog Number:
AG0000A2
Chemical Name:
4-Pyridinecarboxylic acid, 2-(1-naphthalenyl)-
CAS Number:
100004-93-1
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
2-naphthalen-1-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)12-8-9-17-15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,18,19)
InChI Key:
GISKBORJJFIVKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1cccc2c1cccc2
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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