≥98% 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 | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O |
|---|---|
| IUPAC Name | 2-(3-benzyl-4-oxophthalazin-1-yl)acetic acid |
| InChIKey | RQPPZGICNYEPHM-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O3/c20-16(21)10-15-13-8-4-5-9-14(13)17(22)19(18-15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21) |
| Isomeric SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O |
| PubChem CID | 793417 |
| Molecular Weight | 294.31 |
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 | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Phthalazines |
| Direct Parent | Phthalazinones |
| Alternative Parents | Pyridazinones Benzene and substituted derivatives Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazinone - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 294.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.1 Da |
| Monoisotopic Mass | 294.1 Da |
| Topological Polar Surface Area | 70.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| 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 |
