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890597-25-8 | 3-(4-ACETYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)BUTANOIC ACID
CAS No: 890597-25-8 Catalog No: AG0041L7 MDL No:MFCD06008200
Product Description
Catalog Number:
AG0041L7
Chemical Name:
3-(4-ACETYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)BUTANOIC ACID
CAS Number:
890597-25-8
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD06008200
IUPAC Name:
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)butanoic acid
InChI:
InChI=1S/C11H16N2O3/c1-6(5-10(15)16)13-8(3)11(9(4)14)7(2)12-13/h6H,5H2,1-4H3,(H,15,16)
InChI Key:
UHEKEXSWYZMSDA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1nc(c(c1C)C(=O)C)C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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