1,3-Dihydroxy-2-naphthoic acid - ≥98% , CAS No.3147-58-8

CAS: 3147-58-8 Cat. No.: D192677 Fórmula: C₁₁H₈O₄ Peso molecular: 204.18

GRADE & PURITY ≥98%

Synonyms

1,3-dihydroxy-2-naphthoic acid|3147-58-8|1,3-dihydroxynaphthalene-2-carboxylic acid|MFCD00458198|1,3-dihydroxy-2-naphthoicacid|dihydroxy-2-naphthoic acid|SCHEMBL245378|DTXSID40456587|USZZLTVYRPLBMB-UHFFFAOYSA-N|STK330570|Dihydroxynaphthalene-2-carboxylic

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1,3-dihydroxy-2-naphthoic acid | 3147-58-8 | 1,3-dihydroxynaphthalene-2-carboxylic acid | MFCD00458198 | 1,3-dihydroxy-2-naphthoicacid | dihydroxy-2-naphthoic acid | SCHEMBL245378 | DTXSID40456587 | USZZLTVYRPLBMB-UHFFFAOYSA-N | STK330570 | Dihydroxynaphthalene-2-carboxylic

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488197211

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197211

Sorrisos canónicos

C1=CC=C2C(=C1)C=C(C(=C2O)C(=O)O)O

IUPAC Name

1,3-dihydroxynaphthalene-2-carboxylic acid

InChIKey

USZZLTVYRPLBMB-UHFFFAOYSA-N

INCHI

1S/C11H8O4/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,12-13H,(H,14,15)

SMILES isoméricas

C1=CC=C2C(=C1)C=C(C(=C2O)C(=O)O)O

Peso molecular

204.18

Reaxy-Rn

2112477

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2112477&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - 1-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 204.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.042 Da
• Monoisotopic Mass: 204.042 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 253.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3147-58-8, the molecular formula is C11H8O4, and the molecular weight is 204.18 g/mol. InChIKey USZZLTVYRPLBMB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.