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116423-07-5 | 4-Isoxazolepropanoic acid, 3,5-dimethyl-
CAS No: 116423-07-5 Catalog No: AG000CGE MDL No:MFCD02628165
Product Description
Catalog Number:
AG000CGE
Chemical Name:
4-Isoxazolepropanoic acid, 3,5-dimethyl-
CAS Number:
116423-07-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD02628165
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
InChI:
InChI=1S/C8H11NO3/c1-5-7(3-4-8(10)11)6(2)12-9-5/h3-4H2,1-2H3,(H,10,11)
InChI Key:
KSKLKJYVYVPIFW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)noc1C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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