| CAS Number | 1782533-38-3 |
| Catalog Number | AG01BDT2 |
| Chemical Name | Methyl 1-benzyl-3-hydroxy-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 1-benzyl-3-hydroxypyrrole-2-carboxylate |
| InChI | InChI=1S/C13H13NO3/c1-17-13(16)12-11(15)7-8-14(12)9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3 |
| InChI Key | ULIHNFNWZYJDMA-UHFFFAOYSA-N |
| MDL Number | MFCD28246220 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | O=C(C1=C(O)C=CN1CC2=CC=CC=C2)OC |
| Synonyms | methyl 1-benzyl-3-hydroxy-1H-pyrrole-2-carboxylate,
1782533-38-3,
AKOS023838784,
ZINC170610876,
Z1993522676,
|
| Complexity | 263 |
| 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 | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number