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110256-15-0 | 5-Cyclopropylisoxazole-3-carboxylic acid
CAS No: 110256-15-0 Catalog No: AG003MPN MDL No:MFCD05668325
Product Description
Catalog Number:
AG003MPN
Chemical Name:
5-Cyclopropylisoxazole-3-carboxylic acid
CAS Number:
110256-15-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD05668325
IUPAC Name:
5-cyclopropyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key:
OWMVXHFZCCPOTD-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)C1CC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
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 |
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