G2431417Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | 1-(Pyridazin-3-yl)ethanone | 1122-63-0 | 3-Acetylpyridazine | 1-pyridazin-3-ylethanone | 1-(pyridazin-3-yl)ethan-1-one | Ethanone, 1-(3-pyridazinyl)- | Ethanone, 1-(3-pyridazinyl)- (9CI) | MFCD13189577 | acetylpyridazine | NSC527814 | 1-pyridazin-3-yl-ethanone | SCHEMBL149156 | |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Aryl alkyl ketones
- Level6 Aryl ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyridazines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Pyridazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504758572 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758572 |
| IUPAC Name | 1-pyridazin-3-ylethanone |
| INCHI | InChI=1S/C6H6N2O/c1-5(9)6-3-2-4-7-8-6/h2-4H,1H3 |
| InChIKey | FTSKLNSVINAQGJ-UHFFFAOYSA-N |
| Smiles | CC(=O)C1=NN=CC=C1 |
| Isomeric SMILES | CC(=O)C1=NN=CC=C1 |
| PubChem CID | 352755 |
| Molecular Weight | 122.127 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 122.120 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.048 Da |
| Monoisotopic Mass | 122.048 Da |
| Topological Polar Surface Area | 42.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| 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 |
Solution Calculators
Reviews
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