| CAS Number | 712262-13-0 |
| Catalog Number | AG00FXY4(AGN-PC-07AE6X) |
| Chemical Name | Methyl 5-amino-3-(methoxymethyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 5-amino-3-(methoxymethyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C8H11NO3S/c1-11-4-5-3-6(9)13-7(5)8(10)12-2/h3H,4,9H2,1-2H3 |
| InChI Key | POTSTZPYKIFMKY-UHFFFAOYSA-N |
| MDL Number | MFCD20486149 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | COCC1=C(C(OC)=O)SC(N)=C1 |
| Synonyms | 712262-13-0,
methyl 5-amino-3-(methoxymethyl)thiophene-2-carboxylate,
2-thiophenecarboxylic acid,5-amino-3-(methoxymethyl)-,methyl ester,
SCHEMBL8570554,
ZINC39084923,
AKOS027413103,
2-Thiophenecarboxylicacid,5-amino-3-(methoxymethyl)-,methylester(9CI),
2-Thiophenecarboxylic acid, 5-amino-3-(methoxymethyl)-, methyl ester (9CI),
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.24g/mol |
| Monoisotopic Mass | 201.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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