| CAS Number | 560993-95-5 |
| Catalog Number | AG00DLBS(AGN-PC-0L6WL2) |
| Chemical Name | 5-Thiophen-3-yl-furan-2-carboxylic acid |
| IUPAC Name | 5-thiophen-3-ylfuran-2-carboxylic acid |
| InChI | InChI=1S/C9H6O3S/c10-9(11)8-2-1-7(12-8)6-3-4-13-5-6/h1-5H,(H,10,11) |
| InChI Key | JBPGCCPYLDMCHQ-UHFFFAOYSA-N |
| MDL Number | MFCD06740286 |
| Molecular Formula | C9H6O3S |
| Molecular Weight | 194.2071 |
| SMILES | O=C(C1=CC=C(C2=CSC=C2)O1)O |
| Synonyms | 560993-95-5,
5-(thiophen-3-yl)furan-2-carboxylic acid,
5-thiophen-3-ylfuran-2-carboxylic Acid,
5-Thiophen-3-yl-furan-2-carboxylic acid,
AC1N54ZM,
5-(3-thienyl)-2-furoic acid,
CTK5A4639,
KS-00003KLN,
DTXSID50400551,
ZINC4299331,
MFCD06740286,
AKOS002666057,
FS-1985,
F2167-0888,
CID4189543,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.204g/mol |
| Monoisotopic Mass | 194.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number