| CAS Number | 1209765-87-6 |
| Catalog Number | AG019X8S(AGN-PC-0WOB4T) |
| Chemical Name | 3-(5-Chloro-3-methyl-1,2-oxazol-4-yl)propanoic acid |
| IUPAC Name | 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoic acid |
| InChI | InChI=1S/C7H8ClNO3/c1-4-5(2-3-6(10)11)7(8)12-9-4/h2-3H2,1H3,(H,10,11) |
| InChI Key | RZDGDNHYKLVMJR-UHFFFAOYSA-N |
| MDL Number | MFCD13196043 |
| Molecular Formula | C7H8ClNO3 |
| Molecular Weight | 189.5963 |
| SMILES | CC1C(CCC(O)=O)=C(Cl)ON=1 |
| Synonyms | 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoic acid,
1209765-87-6,
AC1Q2Q9L,
CTK7J2984,
ZINC38342298,
AKOS026729655,
MCULE-2641681049,
NE17590,
EN300-54361,
AB01005968-01,
Z839575642,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.595g/mol |
| Monoisotopic Mass | 189.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number