2-Methylbenzofuran-3-carbaldehyde - CAS 55581-61-8
Catalog: |
BB029099 |
Product Name: |
2-Methylbenzofuran-3-carbaldehyde |
CAS: |
55581-61-8 |
Synonyms: |
2-methyl-3-benzofurancarboxaldehyde; 2-methyl-1-benzofuran-3-carbaldehyde |
IUPAC Name: | 2-methyl-1-benzofuran-3-carbaldehyde |
Description: | 2-Methylbenzofuran-3-carbaldehyde (CAS# 55581-61-8) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C10H8O2 |
Canonical SMILES: | CC1=C(C2=CC=CC=C2O1)C=O |
InChI: | InChI=1S/C10H8O2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3 |
InChI Key: | MSCYILGZMAMAQX-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD00625450 |
LogP: | 2.55370 |
Publication Number | Title | Priority Date |
WO-2021123372-A1 | Novel compounds and their use | 20191219 |
WO-2020099341-A1 | Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof | 20181112 |
CN-113272302-A | Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use | 20181112 |
EP-3880675-A1 | Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof | 20181112 |
KR-20210093292-A | Antibiotic compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof | 20181112 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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