| CAS Number | 1469286-26-7 |
| Catalog Number | AG01B6ZD |
| Chemical Name | 1-(3-Methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | IHAMPVALSBGFAB-UHFFFAOYSA-N |
| MDL Number | MFCD28363861 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CC1=NOC(C2(C(O)=O)CC2)=C1 |
| Synonyms | 1469286-26-7,
1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid,
Cyclopropanecarboxylic acid, 1-(3-methyl-5-isoxazolyl)-,
SCHEMBL15321889,
IHAMPVALSBGFAB-UHFFFAOYSA-N,
ZINC82852487,
AKOS022907410,
1-(3-methylisoxazol-5-yl)cyclopropanecarboxylic acid,
Z2587654834,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number