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3084-40-0 | Phosphonic acid, P-(hydroxymethyl)-, diethyl ester
CAS No: 3084-40-0 Catalog No: AG0031HH MDL No:MFCD00014418
Product Description
Catalog Number:
AG0031HH
Chemical Name:
Phosphonic acid, P-(hydroxymethyl)-, diethyl ester
CAS Number:
3084-40-0
Molecular Formula:
C5H13O4P
Molecular Weight:
168.1281
MDL Number:
MFCD00014418
IUPAC Name:
diethoxyphosphorylmethanol
InChI:
InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3
InChI Key:
RWIGWWBLTJLKMK-UHFFFAOYSA-N
SMILES:
OCP(=O)(OCC)OCC
EC Number:
221-391-6
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.129g/mol
Monoisotopic Mass:
168.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and structural characterization of Zn(O3PCH2OH), a new microporous zinc phosphonate. | Inorganic chemistry 20010326 |
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