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≥97% 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 | CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2)OC)C |
|---|---|
| IUPAC Name | 6-methoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene |
| InChIKey | OZVDAMFCGBFOHR-UHFFFAOYSA-N |
| INCHI | 1S/C16H18O2/c1-16(2)9-8-11-10-14(17-3)12-6-4-5-7-13(12)15(11)18-16/h4-7,10H,8-9H2,1-3H3 |
| Isomeric SMILES | CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2)OC)C |
| Alternate CAS | 20213-26-7 |
| PubChem CID | 849479 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Naphthopyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthopyrans |
| Alternative Parents | 2,2-dimethyl-1-benzopyrans Naphthalenes Anisoles Alkyl aryl ethers Pyrans Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthopyran - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Naphthalene - Anisole - Alkyl aryl ether - Benzenoid - Pyran - Ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 242.310 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 242.131 Da |
| Monoisotopic Mass | 242.131 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 18 |
| 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 |