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3，3-diphenyl-2，3-epoxypropionic acid methyl ester - ≥98%, high purity , CAS No.76527-25-8

COA

Grade & Purity:

≥98%

Cas Number: 76527-25-8
EC Number: 616-346-6
PubChem CID: 10587027

In stock

Item Number

D724870

Grouped product items
SKU	Size	Availability	Price	Qty
D724870-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,407.90

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	Oxirane carboxylic acids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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 3,3-diphenyloxirane-2-carboxylate
INCHI	InChI=1S/C16H14O3/c1-18-15(17)14-16(19-14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKey	ILXKNKDKHCSQTL-UHFFFAOYSA-N
Smiles	COC(=O)C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES	COC(=O)C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
Alternate CAS	76527-25-8
PubChem CID	10587027

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.280 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	254.094 Da
Monoisotopic Mass	254.094 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	309.000
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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