| CAS Number | 926225-08-3 |
| Catalog Number | AG019XFR |
| Chemical Name | 4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid |
| IUPAC Name | 4-(3,6-dioxodiazinan-1-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O4/c14-9-5-6-10(15)13(12-9)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,14)(H,16,17) |
| InChI Key | USBCCCWZFZKVJI-UHFFFAOYSA-N |
| MDL Number | MFCD09045437 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | OC(C1=CC=C(N2C(=O)CCC(=O)N2)C=C1)=O |
| Synonyms | 4-(3,6-dioxo-1,2-diazinan-1-yl)benzoic acid,
926225-08-3,
AC1Q736R,
CTK7H3213,
ZINC21961873,
AKOS000129140,
MCULE-5040530591,
EN300-54871,
Z823287522,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.211g/mol |
| Monoisotopic Mass | 234.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number