3-(Diethylphosphono)propanoic acid - CAS 3095-96-3
Catalog: |
BB043140 |
Product Name: |
3-(Diethylphosphono)propanoic acid |
CAS: |
3095-96-3 |
Synonyms: |
3-(Diethoxyphosphoryl)propanoic acid; Propanoic acid, 3-(diethoxyphosphinyl)-; Diethylphosphonopropanoic acid |
IUPAC Name: | 3-diethoxyphosphorylpropanoic acid |
Description: | 3-(Diethylphosphono)propanoic acid (CAS# 3095-96-3 ) is a useful research chemical. |
Molecular Weight: | 210.16 |
Molecular Formula: | C7H15O5P |
Canonical SMILES: | CCOP(=O)(CCC(=O)O)OCC |
InChI: | InChI=1S/C7H15O5P/c1-3-11-13(10,12-4-2)6-5-7(8)9/h3-6H2,1-2H3,(H,8,9) |
InChI Key: | YLIOJOOKMJEHJM-UHFFFAOYSA-N |
Boiling Point: | 334.4 °C at 760 mmHg |
Melting Point: | >15 °C |
Purity: | 98 % |
Density: | 1.196 g/cm3 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.06571057 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.06571057 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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