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DIethyl isopropenyl phosphate

CAT: 0127-OR1053395-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
5954-28-9
MDL Number
MFCD31568086
Purity
95%
Smiles
O=P(OCC)(OCC)OC(C)=C

Chemical Information

Diethyl isopropenyl phosphate
CAS Number5954-28-9
PubChem CID319403
IUPAC Namediethyl prop-1-en-2-yl phosphate
Molecular FormulaC7H15O4P
Molecular Weight194.17
XLogP1.4
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity180
SMILES
CCOP(=O)(OCC)OC(=C)C
InChI
InChI=1S/C7H15O4P/c1-5-9-12(8,10-6-2)11-7(3)4/h3,5-6H2,1-2,4H3
InChIKey
PSIRYXWQEOZQRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl isopropenyl phosphate
CAS: 5954-28-9
CID: 319403
Formula: C7H15O4P
MW: 194.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.17
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass194.07079595
Monoisotopic Mass194.07079595
Topological Polar Surface Area44.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity180
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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HY-101417R-01Diethyl phosphate (Standard)
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