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methyl 3-(dimethoxyphosphoryl)propanoate - ≥97%, high purity , CAS No.18733-15-8

COA

Grade & Purity:

≥97%

Cas Number: 18733-15-8
Molecular Weight: 196.14
PubChem CID: 87769

In stock

Item Number

M694952

Grouped product items
SKU	Size	Availability	Price
M694952-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90
M694952-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$507.90
M694952-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,074.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphonic acids and derivatives
    - Subclass Phosphonic acid diesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphonic acids and derivatives
Subclass	Phosphonic acid diesters
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl alkylphosphonates
Alternative Parents	Phosphonic acid esters Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl alkylphosphonate - Phosphonic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
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-dimethoxyphosphorylpropanoate
INCHI	InChI=1S/C6H13O5P/c1-9-6(7)4-5-12(8,10-2)11-3/h4-5H2,1-3H3
InChIKey	DUCGXDQPWFCMNZ-UHFFFAOYSA-N
Smiles	COC(=O)CCP(=O)(OC)OC
Isomeric SMILES	COC(=O)CCP(=O)(OC)OC
PubChem CID	87769
Molecular Weight	196.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.140 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	196.05 Da
Monoisotopic Mass	196.05 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182.000
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

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