Methyl 3,5-dihydroxybenzoate - CAS 2150-44-9
Catalog: |
BB016921 |
Product Name: |
Methyl 3,5-dihydroxybenzoate |
CAS: |
2150-44-9 |
Synonyms: |
methyl 3,5-dihydroxybenzoate |
IUPAC Name: | methyl 3,5-dihydroxybenzoate |
Description: | The methyl ester of 3,5-Dihydroxybenzoic Acid (D451700) with potential antifeedant activity for pine weevil, Hylobius abietis. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)O)O |
InChI: | InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3 |
InChI Key: | RNVFYQUEEMZKLR-UHFFFAOYSA-N |
Boiling Point: | 349.4 °C at 760 mmHg |
Melting Point: | 164-169 °C |
Purity: | 95 % |
Density: | 1.354 g/cm3 |
Appearance: | White to off-white crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00002289 |
LogP: | 0.88440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 20201020 |
CN-213376148-U | Chemical product processing equipment | 20200822 |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
JP-2020152892-A | Polyimide | 20191125 |
KR-20210052249-A | Mitochondrial target compound and composition for the treatment or prevention of age-related diseases comprising the same | 20191030 |
PMID | Publication Date | Title | Journal |
22606176 | 20120401 | 4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid | Acta crystallographica. Section E, Structure reports online |
11429805 | 20010126 | Lamellar organic thin films through self-assembly and molecular recognition | The Journal of organic chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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