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13025-99-5 | 4-Pyridinecarboxylic acid, 2-(4-pyridinylmethylene)hydrazide
CAS No: 13025-99-5 Catalog No: AG000U6T MDL No:
Product Description
Catalog Number:
AG000U6T
Chemical Name:
4-Pyridinecarboxylic acid, 2-(4-pyridinylmethylene)hydrazide
CAS Number:
13025-99-5
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
N-[(E)-pyridin-4-ylmethylideneamino]pyridine-4-carboxamide
InChI:
InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)/b15-9+
InChI Key:
RVAFAIOWXGOYMP-OQLLNIDSSA-N
SMILES:
O=C(c1ccncc1)NN=Cc1ccncc1
NSC Number:
34434
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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 |
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