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957947-49-8 | 5-Dimethoxymethyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester
CAS No: 957947-49-8 Catalog No: AG01FGXG MDL No:
Product Description
Catalog Number:
AG01FGXG
Chemical Name:
5-Dimethoxymethyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester
CAS Number:
957947-49-8
IUPAC Name:
methyl 5-(dimethoxymethyl)-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O4/c1-18-13(17)11-9-15-16(10-7-5-4-6-8-10)12(11)14(19-2)20-3/h4-9,14H,1-3H3
InChI Key:
XPYDNOMIKFRCIG-UHFFFAOYSA-N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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