≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)O |
|---|---|
| IUPAC Name | phenanthrene-3-carboxylic acid |
| InChIKey | WYQIVZKSGGKUAX-UHFFFAOYSA-N |
| INCHI | 1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17) |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)O |
| Alternate CAS | 7470-14-6 |
| NSC Number | 402374 |
| Molecular Weight | 222.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Naphthalenecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenanthrene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Naphthalene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
| External Descriptors | Not available |
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| Sensitivity | light & Moisture sensitive |
|---|---|
| Molecular Weight | 222.240 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.068 Da |
| Monoisotopic Mass | 222.068 Da |
| Topological Polar Surface Area | 37.300 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 |
L2508570