| CAS Number | 194928-68-2 |
| Catalog Number | AG01B2SH(AGN-PC-0O6IA4) |
| Chemical Name | (2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
| IUPAC Name | 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17) |
| InChI Key | SMWOSZUZMNXRKC-UHFFFAOYSA-N |
| MDL Number | MFCD08691130 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | OC(/C=C/C1=CC=C(N2C(=O)CCC2)C=C1)=O |
| Synonyms | 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid,
160648-06-6,
(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid,
CTK7I2894,
AKOS009103766,
MCULE-7163184181,
Z220564298,
194928-68-2,
(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]acrylic acid,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number