DIETHYL(1-CARBOXYPROPYL)PHOSPHONATE - CAS 117898-77-8
Catalog: |
BB043366 |
Product Name: |
DIETHYL(1-CARBOXYPROPYL)PHOSPHONATE |
CAS: |
117898-77-8 |
Synonyms: |
2-(Diethoxyphosphoryl)butanoic acid; Butanoic acid,2-(diethoxyphosphinyl)-; Diethyl(1-carboxypropyl)phosphonate; ACMC-20mnhj |
IUPAC Name: | 2-diethoxyphosphorylbutanoic acid |
Description: | DIETHYL(1-CARBOXYPROPYL)PHOSPHONATE (CAS# 117898-77-8 ) is a useful research chemical. |
Molecular Weight: | 224.19 |
Molecular Formula: | C8H17O5P |
Canonical SMILES: | CCC(C(=O)O)P(=O)(OCC)OCC |
InChI: | InChI=1S/C8H17O5P/c1-4-7(8(9)10)14(11,12-5-2)13-6-3/h7H,4-6H2,1-3H3,(H,9,10) |
InChI Key: | NETDVWKQOUDENP-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.08136064 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.08136064 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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