6-Hydroxy-1-naphthoic Acid - ≥98% , CAS No.2437-17-4

CAS: 2437-17-4 Cat. No.: H132853 Formule: C₁₁H₈O₃ Poids moléculaire: 188.18 Numéro CE: 407-390-5

GRADE & PURITY ≥98%

Synonyms

1-Naphthalenecarboxylic acid, 6-hydroxy- | H0886 | EN300-219222 | 6-hydroxy-1-naphthalenecarboxylic acid | 6-Hydroxy-1-naphthoic acid | FT-0634279 | DTXSID60420184 | JCJUKCIXTRWAQY-UHFFFAOYSA- | MFCD00209983 | 6-hydroxy-naphthalene-1-carboxylic acid | 6-h

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-Naphthalenecarboxylic acid, 6-hydroxy- | H0886 | EN300-219222 | 6-hydroxy-1-naphthalenecarboxylic acid | 6-Hydroxy-1-naphthoic acid | FT-0634279 | DTXSID60420184 | JCJUKCIXTRWAQY-UHFFFAOYSA- | MFCD00209983 | 6-hydroxy-naphthalene-1-carboxylic acid | 6-h

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488195566

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195566

Sourires canoniques

C1=CC2=C(C=CC(=C2)O)C(=C1)C(=O)O

IUPAC Name

6-hydroxynaphthalene-1-carboxylic acid

InChIKey

JCJUKCIXTRWAQY-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC2=C(C=CC(=C2)O)C(=C1)C(=O)O

Poids moléculaire

188.18

Reaxy-Rn

2692081

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692081&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 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 210 °C
• Poids moléculaire: 188.180 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.047 Da
• Monoisotopic Mass: 188.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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