| CAS Number | 139297-56-6 |
| Catalog Number | AG009C04(AGN-PC-0M79R2) |
| Chemical Name | 5-(Hydroxymethyl)-3-isoxazolecarboxylic acid |
| IUPAC Name | 5-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C5H5NO4/c7-2-3-1-4(5(8)9)6-10-3/h1,7H,2H2,(H,8,9) |
| InChI Key | MZEMFJMDJPVEDB-UHFFFAOYSA-N |
| MDL Number | MFCD08234958 |
| Molecular Formula | C5H5NO4 |
| Molecular Weight | 143.0975 |
| SMILES | OCC1ON=C(C(O)=O)C=1 |
| Synonyms | 5-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID,
139297-56-6,
5-(hydroxymethyl)-1,2-oxazole-3-carboxylic Acid,
AC1OXT5Z,
SCHEMBL744240,
CHEMBL342609,
CTK8G9082,
DTXSID00429015,
MZEMFJMDJPVEDB-UHFFFAOYSA-N,
ZINC6658126,
SBB014333,
STK689815,
AKOS003674005,
MCULE-9585590711,
NE18197,
AJ-56502,
ST4134071,
F1905-6496,
CID8027249,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.098g/mol |
| Monoisotopic Mass | 143.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number