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609-25-6 | 5-Methylbenzene-1,2,3-triol
CAS No: 609-25-6 Catalog No: AG003MWI MDL No:MFCD00017501
Product Description
Catalog Number:
AG003MWI
Chemical Name:
5-Methylbenzene-1,2,3-triol
CAS Number:
609-25-6
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
MDL Number:
MFCD00017501
IUPAC Name:
5-methylbenzene-1,2,3-triol
InChI:
InChI=1S/C7H8O3/c1-4-2-5(8)7(10)6(9)3-4/h2-3,8-10H,1H3
InChI Key:
NYUABOGYMWADSF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)O)O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Structure and bonding analysis of dimethylgallyl complexes of iron, ruthenium, and osmium [(η5-C5H5)(CO)2M(GaMe2)] and [(η5-C5H5)(Me3P)2M(GaMe2)]. | The journal of physical chemistry. A 20110804 |
| Green tea polyphenol epigallocatechin-3-gallate (EGCG) induced intermolecular cross-linking of membrane proteins. | Archives of biochemistry and biophysics 20110315 |
| Nature of M-Ga Bonds in cationic metal-gallylene complexes of iron, ruthenium, and osmium, [(η5-C5H5)(L)2M(GaX)]+: a theoretical study. | Inorganic chemistry 20110307 |
| Nature of bonding in terminal borylene, alylene, and gallylene complexes of vanadium and niobium [(η(5)-C5H5)(CO)3M(ENR2)] (M = V, Nb; E = B, Al, Ga; R = CH3, SiH3, CMe3, SiMe3): a DFT study. | Inorganic chemistry 20110221 |
| Nature of M-Ga bonds in dihalogallyl complexes (η5-C5H5)(Me3P)2M(GaX2) (M = Fe, Ru, Os) and (η5-C5H5)(OC)2Fe(GaX2) (X = Cl, Br, I): a DFT study. | The journal of physical chemistry. A 20101118 |
| Structure and bonding energy analysis of M-Ga bonds in dihalogallyl complexes trans-[X(PMe3)2M(GaX2)] (M = Ni, Pd, Pt; X = Cl, Br, I). | Inorganic chemistry 20100802 |
| Multinuclear gallium-oxide cations in high-silica zeolites. | Physical chemistry chemical physics : PCCP 20090428 |
| Sc(2)MgGa(2) and Y(2)MgGa(2). | Acta crystallographica. Section C, Crystal structure communications 20090301 |
| Gallyl lanthanide complexes containing unsupported Ln-Ga (Ln = Sm, Eu, Yb or Tm) bonds. | Chemical communications (Cambridge, England) 20090107 |
| Cationic terminal gallylene complexes by halide abstraction: coordination chemistry of a valence isoelectronic analogue of CO and N2. | Journal of the American Chemical Society 20081126 |
| Synthesis and structural characterisation of group 10 metal(II) gallyl complexes: analogies with platinum diboration catalysts? | Dalton transactions (Cambridge, England : 2003) 20080907 |
| Rational design of novel, potent small molecule pan-selectin antagonists. | Journal of medicinal chemistry 20070322 |
| Synthesis of gerfelin and related analogous compounds. | Bioscience, biotechnology, and biochemistry 20061001 |
| Radical chemistry of epigallocatechin gallate and its relevance to protein damage. | Archives of biochemistry and biophysics 20030601 |
| Analysis of oxidized epigallocatechin gallate by liquid chromatography/mass spectrometry. | Rapid communications in mass spectrometry : RCM 20030101 |
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