CAS 38947-57-8 | 2 6-DIPHENYLISONICOTINIC ACID 97 | CAS Number 38947-57-8

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38947-57-8 | 2 6-DIPHENYLISONICOTINIC ACID 97

CAS No: 38947-57-8 Catalog No: AG003EO9 MDL No:MFCD00418438

Product Description

Catalog Number:

AG003EO9

Chemical Name:

2 6-DIPHENYLISONICOTINIC ACID 97

CAS Number:

38947-57-8

Molecular Formula:

C18H13NO2

Molecular Weight:

275.3013

MDL Number:

MFCD00418438

IUPAC Name:

2,6-diphenylpyridine-4-carboxylic acid

InChI:

InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)

InChI Key:

PWKUURSWFJBXGO-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nc(c1)c1ccccc1)c1ccccc1

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.307g/mol

Monoisotopic Mass:

275.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
2,6-diphenylpyridine-4-carboxylic acid.	Acta crystallographica. Section C, Crystal structure communications 20020101