| CAS Number | 870704-25-9 |
| Catalog Number | AG00GVTF(AGN-PC-0WB5SF) |
| Chemical Name | 3-cyclopropyl-5-isoxazolecarboxylic acid |
| IUPAC Name | 3-cyclopropyl-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h3-4H,1-2H2,(H,9,10) |
| InChI Key | IMFLJHJZORXYNB-UHFFFAOYSA-N |
| MDL Number | MFCD07357429 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | C1CC1C2=NOC(=C2)C(=O)O |
| Synonyms | 870704-25-9,
3-CYCLOPROPYL-5-ISOXAZOLECARBOXYLIC ACID,
3-cyclopropyl-1,2-oxazole-5-carboxylic acid,
3-Cyclopropylisoxazole-5-carboxylic acid,
SCHEMBL3590347,
MFCD07357429,
ZINC12958127,
AKOS011597150,
AJ-63313,
FT-0725735,
Y-2771,
3-cyclopropyl-5-isoxazolecarboxylic acid(SALTDATA,
F8882-9455,
Z1983079259,
|
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number