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

CAS: 3147-58-8 Cat. No.: D192677 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

Argon charged,Room temperature

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197211
• Sonrisas canónicas: 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)
• Isómeros SMILES: 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
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y 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