| CAS Number | 1311314-41-6 |
| Catalog Number | AG01AH7J(AGN-PC-0WOATE) |
| Chemical Name | 2-(2,4-Dioxo-1,3-diazinan-1-yl)acetic acid |
| IUPAC Name | 2-(2,4-dioxo-1,3-diazinan-1-yl)acetic acid |
| InChI | InChI=1S/C6H8N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-3H2,(H,10,11)(H,7,9,12) |
| InChI Key | OPTZZLGXCKKKNR-UHFFFAOYSA-N |
| MDL Number | MFCD18483233 |
| Molecular Formula | C6H8N2O4 |
| Molecular Weight | 172.1387 |
| SMILES | O=C(O)CN1C(NC(CC1)=O)=O |
| Synonyms | 2-(2,4-dioxo-1,3-diazinan-1-yl)acetic acid,
1311314-41-6,
ZINC62151990,
AKOS006280344,
MCULE-9627673350,
NE25269,
TR-042042,
EN300-73924,
Z1259335896,
2-(2,4-dioxopyrimidin-1-yl)acetic acid,
(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid,
4113-97-7,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.14g/mol |
| Monoisotopic Mass | 172.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number