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131-54-4 | Methanone, bis(2-hydroxy-4-methoxyphenyl)-
CAS No: 131-54-4 Catalog No: AG000VA7 MDL No:MFCD00009606
Product Description
Catalog Number:
AG000VA7
Chemical Name:
Methanone, bis(2-hydroxy-4-methoxyphenyl)-
CAS Number:
131-54-4
Molecular Formula:
C15H14O5
Molecular Weight:
274.2687
MDL Number:
MFCD00009606
IUPAC Name:
bis(2-hydroxy-4-methoxyphenyl)methanone
InChI:
InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
InChI Key:
SODJJEXAWOSSON-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC
EC Number:
205-027-3
UNII:
7813J9CS1G
NSC Number:
40149
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.272g/mol
Monoisotopic Mass:
274.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Ovariectomized mouse uterotrophic assay of 36 chemicals. | The Journal of toxicological sciences 20120101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Conformations of substituted benzophenones. | Acta crystallographica. Section B, Structural science 20080401 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Activity related to the carcinogenicity of plastic additives in the benzophenone group. | Journal of UOEH 20060601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| [Estrogenic activity of ultraviolet absorbers and the related compounds]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20050801 |
| Estrogenic activity of 37 components of commercial sunscreen lotions evaluated by in vitro assays. | Toxicology in vitro : an international journal published in association with BIBRA 20050601 |
| Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay. | Environmental health perspectives 20010201 |
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