| Canonical Smiles | C1COCCN1C2=CC=C(S2)C(=O)O |
|---|---|
| IUPAC Name | 5-morpholin-4-ylthiophene-2-carboxylic acid |
| InChIKey | JCTWKLSFVFWKAB-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO3S/c11-9(12)7-1-2-8(14-7)10-3-5-13-6-4-10/h1-2H,3-6H2,(H,11,12) |
| Isomeric SMILES | C1COCCN1C2=CC=C(S2)C(=O)O |
| PubChem CID | 4739090 |
| Molecular Weight | 213.26 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | Dialkylarylamines 2,5-disubstituted thiophenes Morpholines 2-aminothiophenes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid - Dialkylarylamine - 2,5-disubstituted thiophene - Morpholine - Oxazinane - 2-aminothiophene - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 213.260 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.046 Da |
| Monoisotopic Mass | 213.046 Da |
| Topological Polar Surface Area | 78.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
