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Methyl 2-Diethoxyphosphoryl-2-methoxyacetate

CAT: 0572-TRC-M301575-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M301575-500MGSize:500 mg
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CAS Number
16141-79-0
Synonyms
(Diethoxyphosphoryl)(methoxy)acetic Acid Methyl Ester; Methoxyphosphono-Acetic Acid Diethyl 1-Methyl Ester
Hazard Statement
No Data Available
Smiles
O=C(OC)C(P(OCC)(OCC)=O)OC
Molecular Formula
C8H17O6P
Molecular Weight
240.19
InChI
InChI=1S/C8H17O6P/c1-5-13-15(10,14-6-2)8(12-4)7(9)11-3/h8H,5-6H2,1-4H3
Additionnal Information
IUPAC name: methyl 2-(diethoxyphosphoryl)-2-methoxyacetate
Shipping Conditions
Room Temperature

Chemical Information

Diethyl (methoxy(methoxycarbonyl)methyl)phosphonate
CAS Number16141-79-0
PubChem CID4107971
IUPAC Namemethyl 2-diethoxyphosphoryl-2-methoxyacetate
Molecular FormulaC8H17O6P
Molecular Weight240.19
XLogP0.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity231
SMILES
CCOP(=O)(C(C(=O)OC)OC)OCC
InChI
InChI=1S/C8H17O6P/c1-5-13-15(10,14-6-2)8(12-4)7(9)11-3/h8H,5-6H2,1-4H3
InChIKey
ORDHSXIQNXYWNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl (methoxy(methoxycarbonyl)methyl)phosphonate
CAS: 16141-79-0
CID: 4107971
Formula: C8H17O6P
MW: 240.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.19
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass240.07627526
Monoisotopic Mass240.07627526
Topological Polar Surface Area71.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
454929-01Methyl 2-Diethoxyphosphoryl-2-methoxyacetate
454930Methyl 2-Diethoxyphosphoryl-2-methoxyacetate-d10
RG-M050833-01Methyl 2-Methoxyacetate
sc-228503Methyl 2,2-dichloro-2-methoxyacetate
FDD54859-01Methyl 2-cyclopentyl-2-methoxyacetate
JJC68643-01Methyl 2-cyclopropyl-2-methoxyacetate
EEA03661-01Methyl 2-cyclohexyl-2-methoxyacetate
454964-01Methyl 2-​Hydroxy-​2-​methoxyacetate
sc-486876Methyl 2-Hydroxy-2-methoxyacetate
NCA69751-01Methyl 2- (2-hydroxyphenyl) -2-methoxyacetate

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