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14161-08-1 | 4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-, 4-(2-phenylhydrazone)
CAS No: 14161-08-1 Catalog No: AG007ZA6 MDL No:
Product Description
Catalog Number:
AG007ZA6
Chemical Name:
4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-5-methyl-2,6-dioxo-, 4-(2-phenylhydrazone)
CAS Number:
14161-08-1
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
IUPAC Name:
5-methyl-6-[(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H12N4O2/c1-8-10(14-12(18)15-11(8)17)7-13-16-9-5-3-2-4-6-9/h2-7,16H,1H3,(H2,14,15,17,18)
InChI Key:
JLGUCMKZHSTXEL-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(C=NNc2ccccc2)c(c(=O)[nH]1)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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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