| CAS Number | 935765-07-4 |
| Catalog Number | AG00IHOI(AGN-PC-0WR07G) |
| Chemical Name | Ethyl (2S)-2-(2-formyl-1H-pyrrol-1-YL)propanoate |
| IUPAC Name | ethyl (2S)-2-(2-formylpyrrol-1-yl)propanoate |
| InChI | InChI=1S/C10H13NO3/c1-3-14-10(13)8(2)11-6-4-5-9(11)7-12/h4-8H,3H2,1-2H3/t8-/m0/s1 |
| InChI Key | CTNICYZNJBUCOQ-QMMMGPOBSA-N |
| MDL Number | MFCD09832433 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CCOC(=O)[C@@H](n1cccc1C=O)C |
| Synonyms | ETHYL (2S)-2-(2-FORMYL-1H-PYRROL-1-YL)PROPANOATE,
935765-07-4,
(S)-Ethyl 2-(2-formyl-1H-pyrrol-1-yl)propanoate,
KM3205,
ZINC40488289,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.21g/mol |
| Monoisotopic Mass | 195.089543g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number