| CAS Number | 1368503-69-8 |
| Catalog Number | AG01BFB8 |
| Chemical Name | 2-[3-(2-Oxopyrrolidin-1-yl)phenyl]acetic acid |
| IUPAC Name | 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid |
| InChI | InChI=1S/C12H13NO3/c14-11-5-2-6-13(11)10-4-1-3-9(7-10)8-12(15)16/h1,3-4,7H,2,5-6,8H2,(H,15,16) |
| InChI Key | YWWVWWWUWFEZKC-UHFFFAOYSA-N |
| MDL Number | MFCD21220334 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | OC(CC1=CC(N2C(=O)CCC2)=CC=C1)=O |
| Synonyms | 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid,
1368503-69-8,
ZINC82656330,
AKOS014680918,
NE21830,
Z1889751037,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number