| CAS Number | 1007386-84-6 |
| Catalog Number | AG0002QS(AGN-PC-03P6Z3) |
| Chemical Name | 4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID |
| IUPAC Name | 4H-thieno[3,2-b]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H5NO2S/c9-7(10)6-3-4-5(11-6)1-2-8-4/h1-3,8H,(H,9,10) |
| InChI Key | IULABJQOVJBYGK-UHFFFAOYSA-N |
| MDL Number | MFCD10657075 |
| Molecular Formula | C7H5NO2S |
| Molecular Weight | 167.1851 |
| SMILES | O=C(C(S1)=CC2=C1C=CN2)O |
| Synonyms | 4H-thieno[3,2-b]pyrrole-2-carboxylic acid,
1007386-84-6,
SCHEMBL1244927,
KS-00001CB4,
MFCD10657075,
ZINC12877923,
AKOS022712762,
MCULE-4645433743,
CS-0038040,
AB00994291-01,
Z235352827,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.182g/mol |
| Monoisotopic Mass | 167.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number