| CAS Number | 298700-67-1 |
| Catalog Number | AG01BNQX |
| Chemical Name | (2R)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid |
| IUPAC Name | (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid |
| InChI | InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m1/s1 |
| InChI Key | XBPWPQBDGZFHQI-SSDOTTSWSA-N |
| MDL Number | MFCD24492097 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | C[C@@H](N(CC1=C2C=CC=C1)C2=O)C(O)=O |
| Synonyms | (2R)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid,
298700-67-1,
CHEMBL412436,
ZINC170226,
(R)-2-(1-Oxoisoindoline-2-yl)propionic acid,
Bionet2_000988,
AC1OC943,
CID6934205,
AJ-17433,
(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.073893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.21g/mol |
| Monoisotopic Mass | 205.073893g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number