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13020-57-0 | Methanone, (3-hydroxyphenyl)phenyl-
CAS No: 13020-57-0 Catalog No: AG000U4Q MDL No:MFCD00002297
Product Description
Catalog Number:
AG000U4Q
Chemical Name:
Methanone, (3-hydroxyphenyl)phenyl-
CAS Number:
13020-57-0
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
MDL Number:
MFCD00002297
IUPAC Name:
(3-hydroxyphenyl)-phenylmethanone
InChI:
InChI=1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H
InChI Key:
SHULEACXTONYPS-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(=O)c1ccccc1
EC Number:
235-879-1
UNII:
O6874J5528
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein. | Journal of medicinal chemistry 20120412 |
| Potentiation of the mutagenicity and recombinagenicity of bleomycin in yeast by unconventional intercalating agents. | Environmental and molecular mutagenesis 20110301 |
| Rational design of indoleamine 2,3-dioxygenase inhibitors. | Journal of medicinal chemistry 20100211 |
| Bioassay and ultraperformance liquid chromatography/mass spectrometry guided isolation of apoptosis-inducing benzophenones and xanthone from the pericarp of Garcinia yunnanensis Hu. | Journal of agricultural and food chemistry 20081210 |
| Simultaneous analysis of benzophenone sunscreen compounds in water sample by stir bar sorptive extraction with in situ derivatization and thermal desorption-gas chromatography-mass spectrometry. | Journal of chromatography. A 20080725 |
| Conformations of substituted benzophenones. | Acta crystallographica. Section B, Structural science 20080401 |
| Estrogenic and antiandrogenic activities of 17 benzophenone derivatives used as UV stabilizers and sunscreens. | Toxicology and applied pharmacology 20050215 |
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