| CAS Number | 102389-88-8 |
| Catalog Number | AG00H9SD(AGN-PC-0NVECO) |
| Chemical Name | Dimethyl trans-(+/-)-pyrrolidine-3,4-dicarboxylate |
| IUPAC Name | dimethyl (3S,4S)-pyrrolidine-3,4-dicarboxylate |
| InChI | InChI=1S/C8H13NO4/c1-12-7(10)5-3-9-4-6(5)8(11)13-2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m1/s1 |
| InChI Key | DEONENFBMPLKOR-PHDIDXHHSA-N |
| MDL Number | MFCD11845472 |
| Molecular Formula | C8H13NO4 |
| Molecular Weight | 187.1931 |
| SMILES | COC(=O)[C@@H]1CNC[C@H]1C(=O)OC |
| Synonyms | (3S,4S)-Dimethyl pyrrolidine-3,4-dicarboxylate,
102389-88-8,
Dimethyl trans-(+/-)-pyrrolidine-3,4-dicarboxylate,
111138-53-5,
SCHEMBL9151117,
ZINC34085385,
AKOS022173294,
AJ-86869,
AX8281549,
Trans (+/-)-pyrrolidine-3,4-dicarboxylic acid dimethyl ester,
dimethyl pyrrolidine-3,4-dicarboxylate,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.195g/mol |
| Monoisotopic Mass | 187.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number