| CAS Number | 19991-68-5 |
| Catalog Number | AG002CFU(AGN-PC-0NICIK) |
| Chemical Name | 3-Formyl-2-thiophenecarboxylic acid |
| IUPAC Name | 3-formylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4O3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3H,(H,8,9) |
| InChI Key | RUNMORKVPCSMTK-UHFFFAOYSA-N |
| MDL Number | MFCD11052549 |
| Molecular Formula | C6H4O3S |
| Molecular Weight | 156.1592 |
| SMILES | O=C(C1=C(C=O)C=CS1)O |
| Synonyms | 3-formyl-2-thiophenecarboxylic acid,
19991-68-5,
3-formylthiophene-2-carboxylic acid,
2-Thiophenecarboxylic acid, 3-formyl-,
SCHEMBL1493596,
CTK7I0155,
DTXSID00483950,
RUNMORKVPCSMTK-UHFFFAOYSA-N,
0273AB,
ANW-61934,
SBB087144,
ZINC20032365,
AKOS006307630,
RP22023,
AJ-75918,
SC-48155,
TC-150679,
AI-942/25034149,
J-512569,
C6H4O3S,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.155g/mol |
| Monoisotopic Mass | 155.988g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number