2-Phenyl-2',4',6'-trihydroxyacetophenone - CAS 727-71-9
Catalog: |
BB034688 |
Product Name: |
2-Phenyl-2',4',6'-trihydroxyacetophenone |
CAS: |
727-71-9 |
Synonyms: |
2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone |
IUPAC Name: | 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone |
Description: | 2-Phenyl-2',4',6'-trihydroxyacetophenone (CAS# 727-71-9) is a useful research chemical. |
Molecular Weight: | 244.24 |
Molecular Formula: | C14H12O4 |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O |
InChI: | InChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-9-4-2-1-3-5-9/h1-5,7-8,15,17-18H,6H2 |
InChI Key: | SLHBRIIHMDJIBT-UHFFFAOYSA-N |
Boiling Point: | 441.5 ℃ at 760 mmHg |
Density: | 1.38 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00205539 |
LogP: | 2.22880 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021171883-A1 | Antiviral wiper | 20180829 |
WO-2019030872-A1 | Hair treatment method | 20170809 |
JP-2019006769-A | Hair deformation treatment method | 20170622 |
WO-2018235890-A1 | Hair deformation treatment method | 20170622 |
JP-2018177719-A | Hair treatment method | 20170417 |
PMID | Publication Date | Title | Journal |
19481947 | 20090701 | Potential antioxidants and tyrosinase inhibitors from synthetic polyphenolic deoxybenzoins | Bioorganic & medicinal chemistry |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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