Methyl 5-Formyl-2-methoxybenzoate - CAS 78515-16-9
Catalog: |
BB036184 |
Product Name: |
Methyl 5-Formyl-2-methoxybenzoate |
CAS: |
78515-16-9 |
Synonyms: |
5-formyl-2-methoxybenzoic acid methyl ester; methyl 5-formyl-2-methoxybenzoate |
IUPAC Name: | methyl 5-formyl-2-methoxybenzoate |
Description: | Methyl 5-Formyl-2-methoxybenzoate (CAS# 78515-16-9) is an intermediate used to synthesize peroxisome proliferator-activated receptor (PPAR) activators. It is also used to prepare 1,4-bis(3-hydroxycarbonyl-4-hydroxyl)styrylbenzene derivatives as PTP1B inhibitors. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)C(=O)OC |
InChI: | InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3 |
InChI Key: | CNRMXICSYWVJRD-UHFFFAOYSA-N |
Boiling Point: | 332.268 °C at 760 mmHg |
Density: | 1.191 g/cm3 |
LogP: | 1.29430 |
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 |
KR-20210057300-A | Novel compound for preventing or treating neuroinflammatory disease and pharmaceutical composition including the same | 20191112 |
US-2020385348-A1 | Antimicrobial compounds, compositions, and methods | 20190607 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
CN-109096107-B | Preparation method of 5-formyl-2-methoxy methyl benzoate | 20180903 |
CN-110724075-A | Amide compound, pharmaceutical composition containing same, preparation method and application thereof | 20180716 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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