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138330-07-1 | 4-Pyridinecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS No: 138330-07-1 Catalog No: AG0018KI MDL No:
Product Description
Catalog Number:
AG0018KI
Chemical Name:
4-Pyridinecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS Number:
138330-07-1
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
(4-phenylphenyl) pyridine-4-carboxylate
InChI:
InChI=1S/C18H13NO2/c20-18(16-10-12-19-13-11-16)21-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-13H
InChI Key:
JFOIRKBAJUKOLZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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