| CAS Number | 639523-17-4 |
| Catalog Number | AG00EZGG(AGN-PC-07ACL0) |
| Chemical Name | 3-Cyclopropyl-4-isoxazolecarboxylic acid |
| IUPAC Name | 3-cyclopropyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c9-7(10)5-3-11-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10) |
| InChI Key | NJEPDWZYBJIKMD-UHFFFAOYSA-N |
| MDL Number | MFCD18820494 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | O=C(O)C1=CON=C1C2CC2 |
| Synonyms | 639523-17-4,
3-cyclopropylisoxazole-4-carboxylic acid,
3-Cyclopropyl-1,2-oxazole-4-carboxylic acid,
SCHEMBL932926,
CTK2F1900,
DTXSID20665695,
NJEPDWZYBJIKMD-UHFFFAOYSA-N,
ZINC39066293,
AKOS022716818,
3-cyclopropyl-isoxazole-4-carboxylic acid,
4-Isoxazolecarboxylicacid, 3-cyclopropyl-,
4-Isoxazolecarboxylicacid,3-cyclopropyl-(9CI),
F8888-4112,
Z1948933973,
4-Isoxazolecarboxylic acid, 3-cyclopropyl- (9CI),
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| 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 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number