| Canonical Smiles | C1COCCN1C(=O)C2=CC=CC=C2C(=O)O |
|---|---|
| IUPAC Name | 2-(morpholine-4-carbonyl)benzoic acid |
| InChIKey | QXNQMHHGQWNYFY-UHFFFAOYSA-N |
| INCHI | 1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4H,5-8H2,(H,15,16) |
| Isomeric SMILES | C1COCCN1C(=O)C2=CC=CC=C2C(=O)O |
| PubChem CID | 52295 |
| Molecular Weight | 235.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Morpholine carboxylic acids and derivatives |
| Alternative Parents | Benzoic acids Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Benzoic acid - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as morpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups (or derivative thereof). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2609238 | Certificate of Analysis | Jan 08, 2026 | B694034 |
| D2609239 | Certificate of Analysis | Jan 08, 2026 | B694034 |
| D2609241 | Certificate of Analysis | Jan 08, 2026 | B694034 |
| D2609243 | Certificate of Analysis | Jan 08, 2026 | B694034 |
| Molecular Weight | 235.240 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.084 Da |
| Monoisotopic Mass | 235.084 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| 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 |
