3,4-Dihydroxybenzophenone - CAS 10425-11-3
Catalog: |
BB001366 |
Product Name: |
3,4-Dihydroxybenzophenone |
CAS: |
10425-11-3 |
Synonyms: |
(3,4-dihydroxyphenyl)-phenylmethanone |
IUPAC Name: | (3,4-dihydroxyphenyl)-phenylmethanone |
Description: | 3,4-Dihydroxybenzophenone (CAS# 10425-11-3) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C13H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O |
InChI: | InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H |
InChI Key: | ARWCZKJISXFBGI-UHFFFAOYSA-N |
Boiling Point: | 433.8 °C at 760 mmHg |
Density: | 1.302 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00477203 |
LogP: | 2.32880 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22476147 | 20120401 | Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone | Acta crystallographica. Section C, Crystal structure communications |
21701897 | 20111201 | Synthesis of hydroxyferrocifen and its abilities to protect DNA and to scavenge radicals | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
21177871 | 20110318 | Small molecule AKAP-protein kinase A (PKA) interaction disruptors that activate PKA interfere with compartmentalized cAMP signaling in cardiac myocytes | The Journal of biological chemistry |
20814107 | 20100901 | A monohydrate pseudopolymorph of 3,4-dihydroxybenzophenone and the role of water in the crystal assembly of benzophenones | Acta crystallographica. Section C, Crystal structure communications |
18369292 | 20080401 | Conformations of substituted benzophenones | Acta crystallographica. Section B, Structural science |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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