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49623-71-4 | 2,4,6-Triisopropylbenzoic acid
CAS No: 49623-71-4 Catalog No: AG003FNC MDL No:MFCD00015031
Product Description
Catalog Number:
AG003FNC
Chemical Name:
2,4,6-Triisopropylbenzoic acid
CAS Number:
49623-71-4
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
MDL Number:
MFCD00015031
IUPAC Name:
2,4,6-tri(propan-2-yl)benzoic acid
InChI:
InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
InChI Key:
ULVHAZFBJJXIDO-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1C(=O)O)C(C)C)C(C)C)C
EC Number:
256-400-2
NSC Number:
60075
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Molecular and electronic structures and photophysical properties of quadruply bonded dimetal complexes (M = Mo or W) supported by trans-arylethynylcarboxylate ligands where aryl = p-tolyl or 9-anthrancenyl. | Dalton transactions (Cambridge, England : 2003) 20121021 |
| Furan- and selenophene-2-carboxylato derivatives of dimolybdenum and ditungsten (M[quadruple bond]M): a comparison of their chemical and photophysical properties. | Dalton transactions (Cambridge, England : 2003) 20120227 |
| Synthesis and characterization of trans-M2(T(i)PB)2(O2C-CH=CH-2-C4H3S)2 (M = Mo or W) and comments on the metal-to-ligand charge transfer bands in MM quadruply bonded complexes of the type trans-M2(T(i)PB)2L2, where T(i)PB = 2,4,6-triisopropylbenzoate and L = π-accepting carboxylate ligand. | Dalton transactions (Cambridge, England : 2003) 20111028 |
| Insulated copper(I) 'wires': structural variations and photoluminescence. | Chemical communications (Cambridge, England) 20110628 |
| Extent of M2 δ to ligand π-conjugation in neutral and mixed valence states of bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) dimetal complexes (MM), where M = Mo or W, and their adducts with tris(pentafluorophenyl)boron. | Journal of the American Chemical Society 20110420 |
| Bis(1H-pyrazole-κN)bis-(2,4,6-tri-isopropyl-benzoato-κO)cobalt(II). | Acta crystallographica. Section E, Structure reports online 20101101 |
| Molecular, electronic structure and spectroscopic properties of MM quadruply bonded units supported by trans-6-carboethoxy-2-carboxylatoazulene ligands. | Dalton transactions (Cambridge, England : 2003) 20100227 |
| 2-Thienylcarboxylato and 2-thienylthiocarboxylato ligands bonded to MM quadruple bonds (M = Mo or W): a comparison of ground state, spectroscopic and photoexcited state properties. | Inorganic chemistry 20091207 |
| Sexithiophenes mediated by MM quadruple bonds: MM = Mo2, MoW, and W2. | Inorganic chemistry 20090907 |
| Quadruply bonded dimetal units supported by 2,4,6-triisopropylbenzoates MM(TiPB)(4) (MM = Mo(2), MoW, and W(2)): preparation and photophysical properties. | Inorganic chemistry 20090518 |
| Relationship between metal-metal bond length and internal rotation in diruthenium tetracarboxylate paddlewheel complexes. | Dalton transactions (Cambridge, England : 2003) 20090114 |
| Dimolybdenum bis-2,4,6-triisopropyl-benzoate bis-4-isonicotinate: a redox active analogue of 4,4'-bipyridine with ambivalent properties. | Inorganic chemistry 20081020 |
| Substitution chemistry of MM quadruply bonded complexes (M = Mo or W) supported by the anion of 2-hydroxy-6-methylpyridine. | Dalton transactions (Cambridge, England : 2003) 20070514 |
| Applications of high-field (W-band) EPR to M-M bonded units (M = Cr, Mo): the first confirmed oxidation of a Cr2 4+ paddlewheel complex to a stable isostructural Cr2 5+ product. | Inorganic chemistry 20030310 |
| Filling a void: isolation and characterization of tetracarboxylato dimolybdenum cations. | Inorganic chemistry 20020325 |
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