Dimethyl 3-aminothiophene-2,5-dicarboxylate - CAS 785803-74-9
Catalog: |
BB067405 |
Product Name: |
Dimethyl 3-aminothiophene-2,5-dicarboxylate |
CAS: |
785803-74-9 |
Synonyms: |
dimethyl 3-aminothiophene-2,5-dicarboxylate; dimethyl3-aminothiophene-2,5-dicarboxylate |
IUPAC Name: | dimethyl 3-aminothiophene-2,5-dicarboxylate |
Description: | Dimethyl 3-aminothiophene-2,5-dicarboxylate |
Molecular Weight: | 215.23 |
Molecular Formula: | C8H9NO4S |
Canonical SMILES: | COC(=O)C1=CC(=C(S1)C(=O)OC)N |
InChI: | InChI=1S/C8H9NO4S/c1-12-7(10)5-3-4(9)6(14-5)8(11)13-2/h3H,9H2,1-2H3 |
InChI Key: | QFWYBXJEIDHWPZ-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.02522894 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.02522894 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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