3-(2,4-Dihydroxyphenyl)propionic acid - CAS 5631-68-5
Catalog: |
BB029325 |
Product Name: |
3-(2,4-Dihydroxyphenyl)propionic acid |
CAS: |
5631-68-5 |
Synonyms: |
3-(2,4-dihydroxyphenyl)propanoic acid |
Application: |
anti-hypertensive |
IUPAC Name: | 3-(2,4-dihydroxyphenyl)propanoic acid |
Description: | Protoveratrine A is a natural alkaloid isolated from the of Veratrum nigrum L, it has depolarizing effects on the rat diaphram and some effects on cardiovascular and respiratory systems in rats in reducing the blood pressure and heart rate. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | C1=CC(=C(C=C1O)O)CCC(=O)O |
InChI: | InChI=1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) |
InChI Key: | HMCMTJPPXSGYJY-UHFFFAOYSA-N |
Boiling Point: | 418 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.398 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00143017 |
LogP: | 1.11500 |
Quality Standard: | Enterprise Standard |
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PMID | Publication Date | Title | Journal |
21956383 | 20111109 | DNA-coated microbubbles with biochemically tunable ultrasound contrast activity | Advanced materials (Deerfield Beach, Fla.) |
19536538 | 20091001 | Formation of coumarines during the degradation of alkyl substituted aromatic oil components by the yeast Trichosporon asahii | Applied microbiology and biotechnology |
18493646 | 20080601 | Toward autonomously operating molecular machines driven by transition-metal catalyst | Molecular bioSystems |
17447749 | 20070531 | Enhanced substituted resorcinol hydrophobicity augments tyrosinase inhibition potency | Journal of medicinal chemistry |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0579088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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