Methyl 8-hydroxy-1-naphthoate , CAS No.5247-86-9

CAS: 5247-86-9 Cat. No.: M380240 Formula: C₁₂H₁₀O₃ Peso molecolare: 202.21

Synonyms

DSFFPEOQMHEQIH-UHFFFAOYSA-N | SCHEMBL3741831 | F15618 | methyl 8-hydroxynaphthalene-1-carboxylate | Methyl 8-hydroxy-1-naphthoate # | 8-Hydroxy-naphthoic acid, methyl ester | MFCD00665832 | 8-Hydroxy-naphthalene-1-carboxylic acid methyl ester | 8-hydroxyn

Storage

Room temperature

Specifications

Sinonimi

DSFFPEOQMHEQIH-UHFFFAOYSA-N | SCHEMBL3741831 | F15618 | methyl 8-hydroxynaphthalene-1-carboxylate | Methyl 8-hydroxy-1-naphthoate # | 8-Hydroxy-naphthoic acid, methyl ester | MFCD00665832 | 8-Hydroxy-naphthalene-1-carboxylic acid methyl ester | 8-hydroxyn

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

COC(=O)C1=CC=CC2=C1C(=CC=C2)O

IUPAC Name

methyl 8-hydroxynaphthalene-1-carboxylate

InChIKey

DSFFPEOQMHEQIH-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COC(=O)C1=CC=CC2=C1C(=CC=C2)O

Peso molecolare

202.21

Reaxy-Rn

2643871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2643871&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 and derivatives
• Alternative Parents: Naphthols and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid or derivatives - 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 5247-86-9, the molecular formula is C12H10O3, and the molecular weight is 202.21 g/mol. InChIKey DSFFPEOQMHEQIH-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.