[2-(Methoxycarbonyl)allyl]phosphonic Acid - CAS 103528-51-4
Catalog: |
BB001167 |
Product Name: |
[2-(Methoxycarbonyl)allyl]phosphonic Acid |
CAS: |
103528-51-4 |
Synonyms: |
2-methoxycarbonylprop-2-enylphosphonic acid; 2-methoxycarbonylprop-2-enylphosphonic acid |
IUPAC Name: | 2-methoxycarbonylprop-2-enylphosphonic acid |
Description: | [2-(Methoxycarbonyl)allyl]phosphonic Acid (CAS# 103528-51-4) is a useful research chemical. |
Molecular Weight: | 180.10 |
Molecular Formula: | C5H9O5P |
Canonical SMILES: | COC(=O)C(=C)CP(=O)(O)O |
InChI: | InChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9) |
InChI Key: | OCAMAQVVROGPGJ-UHFFFAOYSA-N |
LogP: | -0.10670 |
PMID | Publication Date | Title | Journal |
20729083 | 20101001 | Structure-activity relationships of tulipalines, tuliposides, and related compounds as inhibitors of MurA | Bioorganic & medicinal chemistry letters |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01876038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01876038 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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