6-Methylbenzofuran-3(2H)-one - CAS 20895-41-4
Catalog: |
BB016385 |
Product Name: |
6-Methylbenzofuran-3(2H)-one |
CAS: |
20895-41-4 |
Synonyms: |
6-methyl-3-benzofuranone; 6-methyl-1-benzofuran-3-one |
IUPAC Name: | 6-methyl-1-benzofuran-3-one |
Description: | 6-Methylbenzofuran-3(2H)-one (CAS# 20895-41-4 ) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=O)CO2 |
InChI: | InChI=1S/C9H8O2/c1-6-2-3-7-8(10)5-11-9(7)4-6/h2-4H,5H2,1H3 |
InChI Key: | VHAUANQYMZUJPS-UHFFFAOYSA-N |
Boiling Point: | 285 ℃ at 760 mmHg |
Density: | 1.211 g/cm3 |
LogP: | 1.57010 |
Publication Number | Title | Priority Date |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
WO-2020069625-A1 | Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use | 20181003 |
EP-3860994-A1 | Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use | 20181003 |
CN-107188874-A | A kind of synthetic method of chiral quaternary carbon compound | 20170419 |
US-9573957-B2 | Inhibitors of leukotriene production | 20130715 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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