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89776-74-9 | 5-Isopropylisoxazole-3-carboxylic acid
CAS No: 89776-74-9 Catalog No: AG0040IA MDL No:MFCD06738923
Product Description
Catalog Number:
AG0040IA
Chemical Name:
5-Isopropylisoxazole-3-carboxylic acid
CAS Number:
89776-74-9
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD06738923
IUPAC Name:
5-propan-2-yl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10)
InChI Key:
AYWGKTMGWXRLRO-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)C(=O)O)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^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 |
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