Methyl 7-hydroxy-2-naphthoate - ≥98% , CAS No.95901-05-6

CAS: 95901-05-6 Cat. No.: M196094 Fórmula: C₁₂H₁₀O₃ Peso molecular: 202.21

GRADE & PURITY ≥98%

Synonyms

METHYL 7-HYDROXY-2-NAPHTHOATE|95901-05-6|Methyl 7-hydroxynaphthalene-2-carboxylate|MFCD11226994|2-Naphthalenecarboxylic acid, 7-hydroxy-, methyl ester|7-NAPHTHOL-2-CARBOXYLIC ACID METHYL ESTER|SCHEMBL1777541|DTXSID60435293|NRAOMQRRELNKIQ-UHFFFAOYSA-N|VDA9

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

METHYL 7-HYDROXY-2-NAPHTHOATE | 95901-05-6 | Methyl 7-hydroxynaphthalene-2-carboxylate | MFCD11226994 | 2-Naphthalenecarboxylic acid, 7-hydroxy-, methyl ester | 7-NAPHTHOL-2-CARBOXYLIC ACID METHYL ESTER | SCHEMBL1777541 | DTXSID60435293 | NRAOMQRRELNKIQ-UHFFFAOYSA-N | VDA9

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

methyl 7-hydroxynaphthalene-2-carboxylate

InChIKey

NRAOMQRRELNKIQ-UHFFFAOYSA-N

INCHI

1S/C12H10O3/c1-15-12(14)9-3-2-8-4-5-11(13)7-10(8)6-9/h2-7,13H,1H3

SMILES isoméricas

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

Peso molecular

202.21

Reaxy-Rn

8257231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8257231&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 Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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: 202.210 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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.

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 95901-05-6, the molecular formula is C12H10O3, and the molecular weight is 202.21 g/mol. InChIKey NRAOMQRRELNKIQ-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.