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17383

Sigma-Aldrich

Benzene-1,3,5-triacetic acid

≥97.0% (T)

Synonym(s):

1,3,5-Tris(carboxymethyl)benzene

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About This Item

Empirical Formula (Hill Notation):
C12H12O6
CAS Number:
Molecular Weight:
252.22
Beilstein:
9300288
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

≥97.0% (T)

form

powder

SMILES string

OC(=O)Cc1cc(CC(O)=O)cc(CC(O)=O)c1

InChI

1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)

InChI key

AJEIBHNKBLRDNT-UHFFFAOYSA-N

Related Categories

Other Notes

Building block and core molecule for generating diverse libraries in combinatorial chemistry; preparation of giant propeller molecules

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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T Carell et al.
Chemistry & biology, 2(3), 171-183 (1995-03-01)
The increasing interest in combinatorial chemistry as a tool for the development of therapeutics has led to many new methods of creating molecular libraries of potential lead compounds. Current methods have made it possible to develop libraries of several million
J.S. Bradshaw et al.
Journal of Heterocyclic Chemistry, 35, 519-519 (1998)
L. Tong et al.
Journal of the American Chemical Society, 119, 7291-7291 (1997)
S. Brandl et al.
J. Prakt. Chem., 338, 451-451 (1996)
Tomohisa Sawada et al.
Nature communications, 10(1), 5687-5687 (2019-12-14)
Cavity creation is a key to the origin of biological functions. Small cavities such as enzyme pockets are created simply through liner peptide folding. Nature can create much larger cavities by threading and entangling large peptide rings, as learned from

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