| CAS Number | 1190392-66-5 |
| Catalog Number | AG019YYO(AGN-PC-0WOCVA) |
| Chemical Name | Dihydro-2-oxo-2H-1,3-oxazine-3(4H)-acetic acid |
| IUPAC Name | 2-(2-oxo-1,3-oxazinan-3-yl)acetic acid |
| InChI | InChI=1S/C6H9NO4/c8-5(9)4-7-2-1-3-11-6(7)10/h1-4H2,(H,8,9) |
| InChI Key | DZGYGTNFBYWKFM-UHFFFAOYSA-N |
| MDL Number | MFCD14626906 |
| Molecular Formula | C6H9NO4 |
| Molecular Weight | 159.1400 |
| SMILES | OC(CN1C(=O)OCCC1)=O |
| Synonyms | 2-(2-oxo-1,3-oxazinan-3-yl)acetic acid,
1190392-66-5,
SCHEMBL1027508,
DZGYGTNFBYWKFM-UHFFFAOYSA-N,
ZINC41054575,
AKOS010605639,
MCULE-2943592143,
NE44955,
(2-Oxo-1,3-oxazinan-3-yl)acetic acid,
DA-14776,
FT-0702335,
Z1374884799,
|
| 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 | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number