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2295-58-1 | 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-
CAS No: 2295-58-1 Catalog No: AG002LNJ MDL No:MFCD00016456
Product Description
Catalog Number:
AG002LNJ
Chemical Name:
1-Propanone, 1-(2,4,6-trihydroxyphenyl)-
CAS Number:
2295-58-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00016456
IUPAC Name:
1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI:
InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChI Key:
PTHLEKANMPKYDB-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(O)cc(cc1O)O
EC Number:
218-942-8
UNII:
05V5NVB5Y1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Self-assembled light-harvesting peptide nanotubes for mimicking natural photosynthesis. | Angewandte Chemie (International ed. in English) 20120109 |
| Facilitation of expulsion of ureteral stones by addition of α1-blockers to conservative therapy. | Scandinavian journal of urology and nephrology 20101201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Positively charged calcium phosphate/polymer nanoparticles for photodynamic therapy. | Journal of materials science. Materials in medicine 20100301 |
| Different measures of molecular mobility: comparison between calorimetric and thermally stimulated current relaxation times below Tg and correlation with dielectric relaxation times above Tg. | Journal of pharmaceutical sciences 20081001 |
| Prediction of onset of crystallization from experimental relaxation times. II. Comparison between predicted and experimental onset times. | Journal of pharmaceutical sciences 20080101 |
| Predictions of onset of crystallization from experimental relaxation times I-correlation of molecular mobility from temperatures above the glass transition to temperatures below the glass transition. | Pharmaceutical research 20061001 |
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