| CAS Number | 851443-16-8 |
| Catalog Number | AG01DWPS(AGN-PC-0OJONJ) |
| Chemical Name | methyl 5-amino-3-cyclopropylthiophene-2-carboxylate |
| IUPAC Name | methyl 5-amino-3-cyclopropylthiophene-2-carboxylate |
| InChI | InChI=1S/C9H11NO2S/c1-12-9(11)8-6(5-2-3-5)4-7(10)13-8/h4-5H,2-3,10H2,1H3 |
| InChI Key | BFANQMDXOAIVJI-UHFFFAOYSA-N |
| MDL Number | MFCD20486148 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | COC(C1=C(C2CC2)C=C(N)S1)=O |
| Synonyms | 2-Thiophenecarboxylic acid, 5-amino-3-cyclopropyl-, methyl ester,
851443-16-8,
AKOS034181445,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number