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147920-37-4 | 3-Pyridazinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
CAS No: 147920-37-4 Catalog No: AG001FAP MDL No:MFCD01871600
Product Description
Catalog Number:
AG001FAP
Chemical Name:
3-Pyridazinecarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
CAS Number:
147920-37-4
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD01871600
IUPAC Name:
4-oxo-1-phenylpyridazine-3-carboxylic acid
InChI:
InChI=1S/C11H8N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChI Key:
GNPMPJJBVVFDGP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(ccc1=O)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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