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2510-36-3 | 4-Isoxazolecarboxylic acid, 3,5-dimethyl-
CAS No: 2510-36-3 Catalog No: AG002QH1 MDL No:MFCD00051657
Product Description
Catalog Number:
AG002QH1
Chemical Name:
4-Isoxazolecarboxylic acid, 3,5-dimethyl-
CAS Number:
2510-36-3
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD00051657
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)
InChI Key:
IJEUISLJVBUNRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)noc1C
EC Number:
219-724-5
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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