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Methyl 4-(hydroxy(phenyl)methyl)benzoate - ≥95%, high purity , CAS No.108475-89-4

COA

Grade & Purity:

≥95%

Cas Number: 108475-89-4
Molecular Weight: 242.27
PubChem CID: 11776502

In stock

Item Number

M692403

Grouped product items
SKU	Size	Availability	Price	Qty
M692403-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90
M692403-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$496.90

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	Benzoic acid esters Benzoyl derivatives Methyl esters Secondary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Methyl ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - 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 4-[hydroxy(phenyl)methyl]benzoate
INCHI	InChI=1S/C15H14O3/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10,14,16H,1H3
InChIKey	ZNBIZPXNJOMSFQ-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)O
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)O
PubChem CID	11776502
Molecular Weight	242.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.270 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	242.094 Da
Monoisotopic Mass	242.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	263.000
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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