Chromone - CAS 491-38-3
Catalog: |
BB026640 |
Product Name: |
Chromone |
CAS: |
491-38-3 |
Synonyms: |
1-benzopyran-4-one; chromen-4-one |
IUPAC Name: | chromen-4-one |
Description: | Chromone (CAS# 491-38-3) is a useful research chemical. |
Molecular Weight: | 146.14 |
Molecular Formula: | C9H6O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C=CO2 |
InChI: | InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
InChI Key: | OTAFHZMPRISVEM-UHFFFAOYSA-N |
Boiling Point: | 238.5 °C at 760 mmHg |
Melting Point: | 59 °C |
Density: | 1.248 g/cm3 |
Solubility: | 5228 mg/L at 25 °C (est) |
Appearance: | Solid |
MDL: | MFCD00024064 |
LogP: | 1.79300 |
Publication Number | Title | Priority Date |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124277-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124279-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124681-A1 | Curable composition | 20191219 |
PMID | Publication Date | Title | Journal |
31621310 | 20191118 | Isoflavones as Ah Receptor Agonists in Colon-Derived Cell Lines: Structure-Activity Relationships | Chemical research in toxicology |
30256521 | 20181101 | A novel sulfonyl chromen-4-ones (CHW09) preferentially kills oral cancer cells showing apoptosis, oxidative stress, and DNA damage | Environmental toxicology |
28423228 | 20170621 | Targeting DNA-Dependent Protein Kinase for Cancer Therapy | ChemMedChem |
28223412 | 20170221 | Identification of a selective small-molecule inhibitor of type 1 adenylyl cyclase activity with analgesic properties | Science signaling |
26565375 | 20160201 | Natural and synthetic flavonoid modulation of TRPC5 channels | British journal of pharmacology |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.03677943 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.03677943 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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