Tert-Butyl Dimethoxyphosphonoacetate

CAT: 1299-RG-A262706-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262706-01Size:10 mg

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CAS Number

62327-21-3

Synonyms

Tert-butyl 2- (dimethoxyphosphoryl) acetate

Molecular Formula

C8H17O5P

Molecular Weight

224.19

Product Name Synonym

Tert-butyl 2- (dimethoxyphosphoryl) acetate

Chemical Information

tert-Butyl Dimethylphosphonoacetate

CAS Number	62327-21-3
PubChem CID	4564495
IUPAC Name	tert-butyl 2-dimethoxyphosphorylacetate
Molecular Formula	C8H17O5P
Molecular Weight	224.19
XLogP	0.4
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

CC(C)(C)OC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3

InChIKey

SAZYDWOWLRDDRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62327-21-3

CID: 4564495

Formula: C8H17O5P

MW: 224.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.19
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	224.08136064
Monoisotopic Mass	224.08136064
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
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
RG-A263023-01	Tert-Butyl Formate
RG-O012505-01	Tert-Butyl Cyclobutoxycarbamate
RG-E141176-01	Tert-Butyl chloroacetate
RG-E140162-01	Tert-Butyl dimethylcarbamate
RG-T051806-01	Tert-Butyl Acetate
RG-T051805-01	Tert-Butyl Methanesulfonate
RG-A260580-01	Tert-Butyl Acrylate
RG-A261676-01	Tert-Butyl Trifluoromethanesulfonate
RG-T051800-01	Tert-Butyl Nitrite
RG-E140542-01	Tert-butyl butyrate

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