| CAS Number | 876506-51-3 |
| Catalog Number | AG00IEPP(AGN-PC-0WO0FC) |
| Chemical Name | 3-(2-Oxo-1,3-Oxazolidin-3-Yl)Propanoic Acid |
| IUPAC Name | 3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid |
| InChI | InChI=1S/C6H9NO4/c8-5(9)1-2-7-3-4-11-6(7)10/h1-4H2,(H,8,9) |
| InChI Key | BEFOFDIMBJZEPI-UHFFFAOYSA-N |
| MDL Number | MFCD11045821 |
| Molecular Formula | C6H9NO4 |
| Molecular Weight | 159.1400 |
| SMILES | OC(=O)CCN1CCOC1=O |
| Synonyms | 3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid,
876506-51-3,
3-(2-Oxooxazolidin-3-yl)propanoic acid,
AC1Q75LV,
SCHEMBL17662299,
CTK7J4158,
MFCD11045821,
ZINC19841221,
AKOS000212370,
MCULE-5371089126,
EN300-53918,
AB01000845-01,
Z815264178,
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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 | 159.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.141g/mol |
| Monoisotopic Mass | 159.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number