4H-Pyran-4-one - CAS 108-97-4
Catalog: |
BB002367 |
Product Name: |
4H-Pyran-4-one |
CAS: |
108-97-4 |
Synonyms: |
pyran-4-one |
IUPAC Name: | pyran-4-one |
Description: | 4H-Pyran-4-one (CAS# 108-97-4) is a useful research chemical. |
Molecular Weight: | 96.08 |
Molecular Formula: | C5H4O2 |
Canonical SMILES: | C1=COC=CC1=O |
InChI: | InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H |
InChI Key: | CVQUWLDCFXOXEN-UHFFFAOYSA-N |
Boiling Point: | 210-215 °C (lit.) |
Melting Point: | 32-34 °C (lit.) |
Purity: | 95 % |
Density: | 1.192 g/cm3 |
Appearance: | White to orange solid |
Storage: | 2-8 °C |
MDL: | MFCD00006576 |
LogP: | 0.63980 |
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 |
CN-113416176-A | Preparation method of kojic acid bimetallic complex | 20210528 |
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PMID | Publication Date | Title | Journal |
31992748 | 20200128 | Potent inhibition of HIV replication in primary human cells by novel synthetic polyketides inspired by Aureothin | Scientific reports |
28843840 | 20171001 | Structure-activity relationships and molecular docking of thirteen synthesized flavonoids as horseradish peroxidase inhibitors | Bioorganic chemistry |
22980830 | 20121215 | Chemical composition and antibacterial activity of Indian seagrasses against urinary tract pathogens | Food chemistry |
22447389 | 20121201 | Impairment of prostate cancer cell growth by a selective and reversible lysine-specific demethylase 1 inhibitor | International journal of cancer |
22753381 | 20120801 | Quality evaluation of Semen Cassiae (Cassia obtusifolia L.) by using ultra-high performance liquid chromatography coupled with mass spectrometry | Journal of separation science |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.021129366 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.021129366 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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