| CAS Number | 923200-19-5 |
| Catalog Number | AG00GUH3 |
| Chemical Name | 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid |
| IUPAC Name | 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid |
| InChI | InChI=1S/C12H11NO4/c14-10-5-6-11(15)13(10)7-8-1-3-9(4-2-8)12(16)17/h1-4H,5-7H2,(H,16,17) |
| InChI Key | CZYMXZWZYTZRRF-UHFFFAOYSA-N |
| MDL Number | MFCD08691075 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | OC(C1=CC=C(CN2C(=O)CCC2=O)C=C1)=O |
| Synonyms | 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid,
923200-19-5,
4-((2,5-Dioxopyrrolidin-1-yl)methyl)benzoic acid,
SCHEMBL14207256,
CTK7H3265,
AC1Q7390,
ZINC9156372,
BBL031062,
STL317036,
AKOS000263952,
MCULE-8237854988,
NE37404,
EN300-16195,
J-514190,
Z54970911,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number