| CAS Number | 929974-88-9 |
| Catalog Number | AG019KM4 |
| Chemical Name | 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid |
| IUPAC Name | 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid |
| InChI | InChI=1S/C11H10N2O4/c14-9-5-12-11(17)13(9)6-7-2-1-3-8(4-7)10(15)16/h1-4H,5-6H2,(H,12,17)(H,15,16) |
| InChI Key | CYEBFTIDIADYDZ-UHFFFAOYSA-N |
| MDL Number | MFCD09373422 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | OC(C1=CC(CN2C(=O)NCC2=O)=CC=C1)=O |
| Synonyms | 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid,
929974-88-9,
CTK7I8624,
AC1Q7306,
ZINC12505532,
AKOS000117920,
MCULE-5012502502,
NE60715,
EN300-27465,
Z149170612,
|
| Complexity | 355 |
| 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 | 3 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number