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Monoethyl Pyrophosphate

CAT: 0572-TRC-M542555-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M542555-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20680-57-3
Hazard Statement
No Data Available
Smiles
CCOP(=O)(O)OP(=O)(O)O
Molecular Formula
C2 H8 O7 P2
Molecular Weight
206.028
InChI
InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
Additionnal Information
IUPAC name: ethyl phosphono hydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

Ethyl dihydrogen diphosphate
CAS Number20680-57-3
PubChem CID448674
IUPAC Nameethyl phosphono hydrogen phosphate
Molecular FormulaC2H8O7P2
Molecular Weight206.03
XLogP-2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity204
SMILES
CCOP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
InChIKey
OJDJHGIXNZPZFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl dihydrogen diphosphate
CAS: 20680-57-3
CID: 448674
Formula: C2H8O7P2
MW: 206.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.03
XLogP3-2.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass205.97452659
Monoisotopic Mass205.97452659
Topological Polar Surface Area113 Ų
Heavy Atom Count11
Formal Charge0
Complexity204
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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