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13051-07-5 | 3H-Pyrazol-3-one, 2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
CAS No: 13051-07-5 Catalog No: AG000UJF MDL No:
Product Description
Catalog Number:
AG000UJF
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
CAS Number:
13051-07-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
4-(4-methoxyphenyl)-3-methyl-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C11H12N2O2/c1-7-10(11(14)13-12-7)8-3-5-9(15-2)6-4-8/h3-6,10H,1-2H3,(H,13,14)
InChI Key:
ZCCMCFZSUJKOBY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1C(=NNC1=O)C
NSC Number:
109893
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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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