| CAS Number | 1016863-52-7 |
| Catalog Number | AG018S7P(AGN-PC-0WOVER) |
| Chemical Name | 1-[(Thiophen-2-yl)methyl]-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C10H9NO2S/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13) |
| InChI Key | ONXQVRCIJMWQJR-UHFFFAOYSA-N |
| MDL Number | MFCD09951776 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | OC(C1N(CC2SC=CC=2)C=CC=1)=O |
| Synonyms | 1-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxylic acid,
1016863-52-7,
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxylic acid,
AC1Q73PR,
SCHEMBL9022900,
CTK7I9763,
ZINC19802951,
AKOS000195480,
MCULE-9458767233,
NE14694,
EN300-51974,
F8888-5666,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number