Sodium 3-Hydroxy-2-naphthoate - ≥98% , CAS No.14206-62-3

CAS: 14206-62-3 Cat. No.: S161404 Summenformel: C₁₁H₇NaO₃ Molekulargewicht: 210.16 EG-Nummer: 238-063-3 PubChem CID: 23672297

GRADE & PURITY ≥98%

Synonyms

EINECS 238-063-3 | MFCD00068251 | 2-Naphthalenecarboxylic acid, 3-hydroxy-, sodium salt | D90830 | FT-0736138 | A911005 | H0284 | ZCNGWQCRXUGQCW-UHFFFAOYSA-M | 2-Hydroxy-3-naphthoic Acid Sodium Salt | 2-HYDROXY-3-NAPHTHOICACIDSODIUMSALT | 2-Naphthalenecar

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EINECS 238-063-3 | MFCD00068251 | 2-Naphthalenecarboxylic acid, 3-hydroxy-, sodium salt | D90830 | FT-0736138 | A911005 | H0284 | ZCNGWQCRXUGQCW-UHFFFAOYSA-M | 2-Hydroxy-3-naphthoic Acid Sodium Salt | 2-HYDROXY-3-NAPHTHOICACIDSODIUMSALT | 2-Naphthalenecar

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488200454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200454

Kanonisches Lächeln

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.[Na+]

IUPAC Name

sodium;3-hydroxynaphthalene-2-carboxylate

InChIKey

ZCNGWQCRXUGQCW-UHFFFAOYSA-M

INCHI

1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1

Isomere SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])O.[Na+]

PubChem CID

23672297

Molekulargewicht

210.16

Reaxy-Rn

3759715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic sodium salt - Organic salt - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 210.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.029 Da
• Monoisotopic Mass: 210.029 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 232.000
• 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: 2

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