| CAS Number | 128043-82-3 |
| Catalog Number | AG01AHZ2 |
| Chemical Name | 2-(3-Methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid |
| IUPAC Name | 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid |
| InChI | InChI=1S/C6H6N2O5/c1-7-4(11)5(12)8(6(7)13)2-3(9)10/h2H2,1H3,(H,9,10) |
| InChI Key | DBEMFGLKJCRBRS-UHFFFAOYSA-N |
| MDL Number | MFCD09050747 |
| Molecular Formula | C6H6N2O5 |
| Molecular Weight | 186.1222 |
| SMILES | CN1C(=O)C(=O)N(CC(O)=O)C1=O |
| Synonyms | 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid,
128043-82-3,
(3-METHYL-2,4,5-TRIOXOIMIDAZOLIDIN-1-YL)ACETIC ACID,
SCHEMBL8144013,
CTK7J4851,
BBL031293,
STL373073,
ZINC22150310,
AKOS000134567,
MCULE-1503677179,
NE22895,
EN300-76207,
F2158-1751,
Z149285362,
N/A,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.123g/mol |
| Monoisotopic Mass | 186.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number