Ethyl dimethylphosphonoacetate

CAT: 0024-sc-506279BSize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-506279BSize:25 g

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CAS Number

311-46-6

Chemical Information

Ethyl (dimethoxyphosphinoyl)acetate

CAS Number	311-46-6
PubChem CID	67555
IUPAC Name	ethyl 2-dimethoxyphosphorylacetate
Molecular Formula	C6H13O5P
Molecular Weight	196.14
XLogP	-0.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	182

SMILES

CCOC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3

InChIKey

HUNISAHOCCASGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 311-46-6

CID: 67555

Formula: C6H13O5P

MW: 196.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.14
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	196.05006051
Monoisotopic Mass	196.05006051
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-484682	Benzyl Dimethylphosphonoacetate
sc-255447	Potassium P, P-dimethylphosphonoacetate
sc-258209	Tert-Butyl P, P-dimethylphosphonoacetate
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate
sc-237545	1-Ethyl-3-methylimidazolium ethyl sulfate

Catalog	Name
HCA44318	Benzyl Dimethylphosphonoacetate
291561-01	Tert-Butyl O, O-dimethylphosphonoacetate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)