Methyl 3-formylbenzoate - CAS 52178-50-4
Catalog: |
BB027732 |
Product Name: |
Methyl 3-formylbenzoate |
CAS: |
52178-50-4 |
Synonyms: |
methyl 3-formylbenzoate |
IUPAC Name: | methyl 3-formylbenzoate |
Description: | Methyl 3-formylbenzoate (CAS# 52178-50-4) is a reagent being considered for detection of amyloid deposits in patients with various forms of amyloidosis. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3 |
InChI Key: | UVSBCUAQEZINCQ-UHFFFAOYSA-N |
Boiling Point: | 272.8 ℃ at 760 mmHg |
Melting Point: | 48-55 ℃ |
Purity: | 95 % |
Density: | 1.181 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00189379 |
LogP: | 1.28570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021155612-A1 | Antimalarial agents | 20200209 |
WO-2021155791-A1 | Antimalarial agents | 20200209 |
WO-2021148805-A1 | Topical pharmaceutical compositions comprising imidazo[1,2-b]pyridazine compounds | 20200122 |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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