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2510-37-4 | 5-Oxazolecarboxylic acid, 2,4-dimethyl-
CAS No: 2510-37-4 Catalog No: AG002QH0 MDL No:MFCD06011090
Product Description
Catalog Number:
AG002QH0
Chemical Name:
5-Oxazolecarboxylic acid, 2,4-dimethyl-
CAS Number:
2510-37-4
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD06011090
IUPAC Name:
2,4-dimethyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChI Key:
JLSFKHJNJFXGAB-UHFFFAOYSA-N
SMILES:
Cc1nc(c(o1)C(=O)O)C
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:
1
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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