| CAS Number | 14630-08-1 |
| Catalog Number | AG001DVI(AGN-PC-03FB6H) |
| Chemical Name | Thieno[3,4-b]thiophene-2-carboxylic acid |
| IUPAC Name | thieno[2,3-c]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H4O2S2/c8-7(9)5-1-4-2-10-3-6(4)11-5/h1-3H,(H,8,9) |
| InChI Key | IZBPOIZFVYLFEP-UHFFFAOYSA-N |
| MDL Number | MFCD28101714 |
| Molecular Formula | C7H4O2S2 |
| Molecular Weight | 184.2355 |
| SMILES | S1C=2C(C=C1C(=O)O)=CSC2 |
| Synonyms | Thieno[3,4-b]thiophene-2-carboxylic acid,
14630-08-1,
SCHEMBL12668178,
AKOS006373707,
ZINC104684696,
DA-44220,
THIENO[3,4-B]THIOPHENE-2-CARBOXYLIC ACID (TTHC),
Z2679906823,
Thieno[3,4-b]thiophen-2-yl acetate,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.965272g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.2g/mol |
| Monoisotopic Mass | 183.965272g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number