| CAS Number | 1788054-67-0 |
| Catalog Number | AG0026DC(AGN-PC-0WBT03) |
| Chemical Name | sodium 1-benzyl-4-(methoxycarbonyl)-2,5-dihydro-1h-pyrrol-3-olate |
| IUPAC Name | sodium;1-benzyl-4-methoxycarbonyl-2,5-dihydropyrrol-3-olate |
| InChI | InChI=1S/C13H15NO3.Na/c1-17-13(16)11-8-14(9-12(11)15)7-10-5-3-2-4-6-10;/h2-6,15H,7-9H2,1H3;/q;+1/p-1 |
| InChI Key | DANURJFIVGAKHQ-UHFFFAOYSA-M |
| MDL Number | MFCD28502672 |
| Molecular Formula | C13H14NNaO3 |
| Molecular Weight | 255.2449 |
| SMILES | COC(=O)C1=C(O)CN(C1)Cc1ccccc1.[Na] |
| Synonyms | Sodium 1-benzyl-4-(methoxycarbonyl)-2,5-dihydro-1H-pyrrol-3-olate,
1788054-67-0,
MFCD28502672,
AKOS025289938,
AK171840,
CS-0048710,
KS-00000888,
Sodium 1-benzyl-4-methoxycarbonyl-2,5-dihydropyrrol-3-olate,
na,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.249g/mol |
| Monoisotopic Mass | 255.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number