2',4',6'-Trihydroxyacetophenone monohydrate - CAS 249278-28-2
Catalog: |
BB018668 |
Product Name: |
2',4',6'-Trihydroxyacetophenone monohydrate |
CAS: |
249278-28-2 |
Synonyms: |
1-(2,4,6-trihydroxyphenyl)ethanone;hydrate |
IUPAC Name: | 1-(2,4,6-trihydroxyphenyl)ethanone;hydrate |
Description: | 2',4',6'-Trihydroxyacetophenone Monohydrate can be used as HIF-1α inhibitors useful for the treatment of cancer. |
Molecular Weight: | 186.16 |
Molecular Formula: | C8H10O5 |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1O)O)O.O |
InChI: | InChI=1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2 |
InChI Key: | GDSIBPPJKSBCMF-UHFFFAOYSA-N |
Melting Point: | 219-221 ℃ (lit.) |
Purity: | 95 % |
LogP: | 0.94170 |
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 |
WO-2021201949-A2 | Methods for detection of microbes and microbe components | 20200110 |
US-2021098242-A1 | Mass spectrometric sample preparation for matrix-assisted ionization | 20190927 |
WO-2021034956-A2 | Controlling the dna hybridization chain reaction | 20190819 |
WO-2020129305-A1 | Grease composition | 20181221 |
WO-2020129538-A1 | Lubricant composition | 20181221 |
PMID | Publication Date | Title | Journal |
11453772 | 20010701 | Investigating the molecular heterogeneity of polysorbate emulsifiers by MALDI-TOF MS | Journal of agricultural and food chemistry |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.05282342 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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