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85-52-9 | 2-Benzoylbenzoic acid
CAS No: 85-52-9 Catalog No: AG0039VS MDL No:MFCD00002472
Product Description
Catalog Number:
AG0039VS
Chemical Name:
2-Benzoylbenzoic acid
CAS Number:
85-52-9
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD00002472
IUPAC Name:
2-benzoylbenzoic acid
InChI:
InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChI Key:
FGTYTUFKXYPTML-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccccc1
EC Number:
201-612-2
UNII:
1N20Y812XW
NSC Number:
6646
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate. | Acta crystallographica. Section E, Structure reports online 20120301 |
| A rapid and efficient access to diaryldibenzo[b,f][1,5]diazocines. | Organic letters 20110218 |
| trans-Bis(2-benzoyl-benzoato-κO)bis-(ethanol-κO)bis-(1H-imidazole-κN)nickel(II). | Acta crystallographica. Section E, Structure reports online 20090801 |
| Bis-(benzimidazole-κN)bis(2-benzoyl-benzoato-κO)copper(II). | Acta crystallographica. Section E, Structure reports online 20090601 |
| Aminium cation radical of glycylglycine and its deprotonation to aminyl radical in aqueous solution. | The journal of physical chemistry. B 20081009 |
| 3-(5,6,7,8-Tetra-hydro-2-naphth-yl)iso-benzofuran-1(3H)-one. | Acta crystallographica. Section E, Structure reports online 20080901 |
| Effects of complex formation on vibrational circular dichroism spectra. | The journal of physical chemistry. A 20080731 |
| Permeability and electrokinetic characterization of poly(ethylene terephthalate) capillary pore membranes with grafted temperature-responsive polymers. | Langmuir : the ACS journal of surfaces and colloids 20070102 |
| Exploring the ability of frozen-density embedding to model induced circular dichroism. | The journal of physical chemistry. A 20060720 |
| [The electroluminescence of a novel complex Eu(o-BBA)3(phen)]. | Guang pu xue yu guang pu fen xi = Guang pu 20060701 |
| Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. | Bioorganic & medicinal chemistry letters 20051201 |
| Synthesis and protein kinase inhibitory activity of balanol analogues with modified benzophenone subunits. | Journal of medicinal chemistry 20020606 |
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