≥98%(GC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755008 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755008 |
| Canonical Smiles | C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-] |
| IUPAC Name | 6-nitrochromen-2-one |
| InChIKey | RMERXEXZXIVNBF-UHFFFAOYSA-N |
| INCHI | 1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H |
| Isomeric SMILES | C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-] |
| Molecular Weight | 191.14 |
| Reaxy-Rn | 166079 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=166079&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Nitroaromatic compounds Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| 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 |
|---|---|---|---|
 C2612123 | Certificate of Analysis | Mar 18, 2026 | N132914 |
| C2204604 | Certificate of Analysis | Dec 12, 2025 | N132914 |
| C2204605 | Certificate of Analysis | Dec 12, 2025 | N132914 |
| C2204607 | Certificate of Analysis | Dec 12, 2025 | N132914 |
| C2204608 | Certificate of Analysis | Dec 12, 2025 | N132914 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 191 °C |
| Molecular Weight | 191.140 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 191.022 Da |
| Monoisotopic Mass | 191.022 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |
| 1. Tianbing Zhou, Yuxin Xu, Yingtong Chen, Zhengbin Tang, Erxin Wang, Mengmeng Li, Mingrui Dou, Zhijia Zhang, Tao Zhang, Shujun Huang, Shuxian Gu, Shuai Wang, Ranfeng Sun, Dong Li. (2025) Streptomyces-Induced 6-Nitrocoumarin Coordinates Rhizosphere Microbiome Recruitment for Pepper Blight Suppression. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:40999732] [10.1021/acs.jafc.5c08807] |
