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2-Hydroxyethylphosphonic acid

CAT: 0926-XAA98721-02Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-XAA98721-02Size:2.5 g
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CAS Number
22987-21-9
MDL Number
MFCD00043865
Smiles
C (CP (=O) (O) O) O
Molecular Formula
C2H7O4P
Molecular Weight
126.05 g/mol
Controlled
No

Chemical Information

2-Hydroxyethanephosphonic acid

2-hydroxyethylphosphonic acid is a phosphonic acid consisting of ethanol with the phospho group at the 2-position. It is functionally related to a phosphonic acid. It is a conjugate acid of a 2-hydroxyethylphosphonic acid(1-).

CAS Number22987-21-9
PubChem CID89954
IUPAC Name2-hydroxyethylphosphonic acid
Molecular FormulaC2H7O4P
Molecular Weight126.05
XLogP-2.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity83
SMILES
C(CP(=O)(O)O)O
InChI
InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
InChIKey
SEHJHHHUIGULEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyethanephosphonic acid
CAS: 22987-21-9
CID: 89954
Formula: C2H7O4P
MW: 126.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.05
XLogP3-2.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass126.00819570
Monoisotopic Mass126.00819570
Topological Polar Surface Area77.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.7
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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