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Triethyl phosphonoacetate

CAT: 0862-GK5481-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK5481-25gSize:25 g
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CAS Number
867-13-0
EC Number
212-757-6
MDL Number
MFCD00009177
HS Code
29319090
Purity
99.00%
Molecular Formula
C8H17O5P
Molecular Weight
224.19
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Triethyl phosphonoacetate
CAS Number867-13-0
PubChem CID13345
IUPAC Nameethyl 2-diethoxyphosphorylacetate
Molecular FormulaC8H17O5P
Molecular Weight224.19
XLogP0.5
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity206
SMILES
CCOC(=O)CP(=O)(OCC)OCC
InChI
InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKey
GGUBFICZYGKNTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triethyl phosphonoacetate
CAS: 867-13-0
CID: 13345
Formula: C8H17O5P
MW: 224.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.19
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass224.08136064
Monoisotopic Mass224.08136064
Topological Polar Surface Area61.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity206
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
30492-56-9TRIETHYL PHOSPHONOACETATE
HY-Y0677R-01Triethyl phosphonoacetate (Standard)
468114Triethyl Phosphonoacetate-d2
sc-258290Triethyl phosphonoacetate-13C2
sc-258289Triethyl phosphonoacetate-1-13C
242472-01Triethyl phosphonoacetate 99+% (GC)
291206-01Triethyl 2-chloro-2-phosphonoacetate
sc-253747Triethyl 2-fluoro-2-phosphonoacetate
sc-237297Triethyl 2,2-dichloro-2-phosphonoacetate
242471-01Triethyl 2-chloro-2-phosphonoacetate 98+% (NMR)

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