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Methyl 3-(2-methoxy-5-methylphenyl)-3-phenylpropionate - ≥95%, high purity , CAS No.124937-62-8

COA

Grade & Purity:

≥95%

Cas Number: 124937-62-8
Molecular Weight: 284.35
PubChem CID: 11335096

In stock

Item Number

M725851

Grouped product items
SKU	Size	Availability	Price	Qty
M725851-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$606.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Toluenes Fatty acid esters Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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 3-(2-methoxy-5-methylphenyl)-3-phenylpropanoate
INCHI	InChI=1S/C18H20O3/c1-13-9-10-17(20-2)16(11-13)15(12-18(19)21-3)14-7-5-4-6-8-14/h4-11,15H,12H2,1-3H3
InChIKey	BJQJPTJDNINOMT-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)OC)C(CC(=O)OC)C2=CC=CC=C2
Isomeric SMILES	CC1=CC(=C(C=C1)OC)C(CC(=O)OC)C2=CC=CC=C2
PubChem CID	11335096
Molecular Weight	284.35

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.300 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	284.141 Da
Monoisotopic Mass	284.141 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	322.000
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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