≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 7-hydroxy-2-methyl-3-(4-nitrophenyl)chromen-4-one |
| InChIKey | TXGJXULXQOZKBO-UHFFFAOYSA-N |
| INCHI | 1S/C16H11NO5/c1-9-15(10-2-4-11(5-3-10)17(20)21)16(19)13-7-6-12(18)8-14(13)22-9/h2-8,18H,1H3 |
| Isomeric SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)[N+](=O)[O-] |
| PubChem CID | 5417907 |
| Molecular Weight | 297.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Isoflavonoids |
| Subclass | Isoflav-2-enes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoflavones |
| Alternative Parents | Hydroxyisoflavonoids Chromones Nitrobenzenes Nitroaromatic compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 297.260 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 297.064 Da |
| Monoisotopic Mass | 297.064 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 501.000 |
| 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 |
