2-Naphthylglyoxal hydrate - ≥98% , CAS No.16208-21-2

CAS: 16208-21-2 Cat. No.: N729535 Molecular Weight: 202.21 PubChem CID: 19261730

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)C(=O)C=O.O
• IUPAC Name: 2-naphthalen-2-yl-2-oxoacetaldehyde;hydrate
• InChIKey: VDEXQTPNFMMGEQ-UHFFFAOYSA-N
• INCHI: 1S/C12H8O2.H2O/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H;1H2
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C=O.O
• PubChem CID: 19261730
• Molecular Weight: 202.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Phenylacetaldehydes Aryl ketones Alpha ketoaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenylacetaldehyde - Aryl ketone - Alpha-ketoaldehyde - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y