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3-(Bis(benzyloxy)phosphoryl)propanoic acid - ≥95%, high purity , CAS No.805243-04-3

COA

Grade & Purity:

≥95%

Cas Number: 805243-04-3
Molecular Weight: 334.3
PubChem CID: 46223844

In stock

Item Number

P732671

Grouped product items
SKU	Size	Availability	Price	Qty
P732671-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
P732671-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90

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 Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dialkyl alkylphosphonate - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic 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	3-bis(phenylmethoxy)phosphorylpropanoic acid
INCHI	InChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKey	WCSXCHGBVSQCMB-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COP(=O)(CCC(=O)O)OCC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)COP(=O)(CCC(=O)O)OCC2=CC=CC=C2
PubChem CID	46223844
Molecular Weight	334.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	334.300 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	334.097 Da
Monoisotopic Mass	334.097 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	374.000
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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3-(Bis(benzyloxy)phosphoryl)propanoic acid - ≥95%, high purity , CAS No.805243-04-3

Basic Description