Dimethyl (5-methoxycarbonyl-2-oxopentyl)phosphonate - CAS 104227-38-5
Catalog: |
BB043344 |
Product Name: |
Dimethyl (5-methoxycarbonyl-2-oxopentyl)phosphonate |
CAS: |
104227-38-5 |
Synonyms: |
methyl6-dimethoxyphosphoryl-5-oxohexanoate; SCHEMBL9581084; MolPort-028-745-151; ZINC34084273; AKOS017343523; LP065626 |
IUPAC Name: | methyl 6-dimethoxyphosphoryl-5-oxohexanoate |
Description: | Dimethyl (5-methoxycarbonyl-2-oxopentyl)phosphonate (CAS# 104227-38-5 ) is a useful research chemical. |
Molecular Weight: | 252.21 |
Molecular Formula: | C9H17O6P |
Canonical SMILES: | COC(=O)CCCC(=O)CP(=O)(OC)OC |
InChI: | InChI=1S/C9H17O6P/c1-13-9(11)6-4-5-8(10)7-16(12,14-2)15-3/h4-7H2,1-3H3 |
InChI Key: | PMOYKTGCMQTQNB-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.07627526 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.07627526 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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