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14458-05-0 | 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetramethyl-
CAS No: 14458-05-0 Catalog No: AG001JSF MDL No:MFCD00020290
Product Description
Catalog Number:
AG001JSF
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,3,5,6-tetramethyl-
CAS Number:
14458-05-0
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00020290
IUPAC Name:
2,3,5,6-tetramethylterephthalic acid
InChI:
InChI=1S/C12H14O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,(H,13,14)(H,15,16)
InChI Key:
NEOZDUDLYDUOTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c(C)c(c(c1C)C)C(=O)O
NSC Number:
93949
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Quantification of tetramethyl-terephthalic acid in rat liver, spleen and urine matrices by liquid-liquid phase extraction and HPLC-photodiode array detection. | Journal of pharmaceutical and biomedical analysis 20120101 |
| catena-Poly[[[dipyridine-copper(II)]-μ-2,3,5,6-tetra-methyl-benzene-1,4-di-carboxyl-ato] monohydrate]. | Acta crystallographica. Section E, Structure reports online 20101001 |
| A new luminescent 3D metal-organic framework possessing a rare (3,5)-connected net which can be transformed from a 2D double layer. | Dalton transactions (Cambridge, England : 2003) 20090207 |
| Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations. | Dalton transactions (Cambridge, England : 2003) 20080914 |
| Synthesis, X-ray crystal structures, and gas sorption properties of pillared square grid nets based on paddle-wheel motifs: implications for hydrogen storage in porous materials. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050606 |
| Hydrogen sorption in functionalized metal-organic frameworks. | Journal of the American Chemical Society 20040512 |
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