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Methyl 2-Methyl-1-Oxo-1，2，3，4-Tetrahydronaphthalene-2-Carboxylate - ≥98%, high purity , CAS No.54125-61-0

COA

Grade & Purity:

≥98%

Cas Number: 54125-61-0
PubChem CID: 13418517

In stock

Item Number

M770246

Grouped product items
SKU	Size	Availability	Price
M770246-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
M770246-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
M770246-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenecarboxylic acids
Alternative Parents	Tetralins Aryl alkyl ketones Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalenecarboxylic acid - Tetralin - Aryl alkyl ketone - Aryl ketone - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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
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

Names and Identifiers

IUPAC Name	methyl 2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
INCHI	InChI=1S/C13H14O3/c1-13(12(15)16-2)8-7-9-5-3-4-6-10(9)11(13)14/h3-6H,7-8H2,1-2H3
InChIKey	FNKMQHVHFCYAFM-UHFFFAOYSA-N
Smiles	CC1(CCC2=CC=CC=C2C1=O)C(=O)OC
Isomeric SMILES	CC1(CCC2=CC=CC=C2C1=O)C(=O)OC
PubChem CID	13418517

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	218.250 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.094 Da
Monoisotopic Mass	218.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	310.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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