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(Methylphosphonoyl) ethane

CAT: 0127-OR72510Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR72510Size:250 mg
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CAS Number
127648-20-8
MDL Number
MFCD22495474
Purity
95%
Smiles
CC[PH](C)=O

Chemical Information

(Methylphosphonoyl)ethane
CAS Number127648-20-8
PubChem CID15376598
IUPAC Nameethyl-methyl-oxophosphanium
Molecular FormulaC3H8OP+
Molecular Weight91.07
XLogP-0.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge1
Complexity42
SMILES
CC[P+](=O)C
InChI
InChI=1S/C3H8OP/c1-3-5(2)4/h3H2,1-2H3/q+1
InChIKey
OTUDIXALQIJASS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Methylphosphonoyl)ethane
CAS: 127648-20-8
CID: 15376598
Formula: C3H8OP+
MW: 91.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight91.07
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass91.031276872
Monoisotopic Mass91.031276872
Topological Polar Surface Area17.1 Ų
Heavy Atom Count5
Formal Charge1
Complexity42.2
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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