2,5-Dihydroxy-1,4-benzenediacetic acid - CAS 5488-16-4
Catalog: |
BB028846 |
Product Name: |
2,5-Dihydroxy-1,4-benzenediacetic acid |
CAS: |
5488-16-4 |
Synonyms: |
2-[4-(carboxymethyl)-2,5-dihydroxyphenyl]acetic acid |
IUPAC Name: | 2-[4-(carboxymethyl)-2,5-dihydroxyphenyl]acetic acid |
Description: | 2,5-Dihydroxy-1,4-benzenediacetic acid (CAS# 5488-16-4 ) is a useful research chemical. |
Molecular Weight: | 226.18 |
Molecular Formula: | C10H10O6 |
Canonical SMILES: | C1=C(C(=CC(=C1O)CC(=O)O)O)CC(=O)O |
InChI: | InChI=1S/C10H10O6/c11-7-1-5(3-9(13)14)8(12)2-6(7)4-10(15)16/h1-2,11-12H,3-4H2,(H,13,14)(H,15,16) |
InChI Key: | MCLKERLHVBEZIW-UHFFFAOYSA-N |
Boiling Point: | 574.5 ℃ at 760 mmHg |
Density: | 1.602 g/cm3 |
MDL: | MFCD00004325 |
LogP: | 0.35200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111809068-A | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
CN-111809068-B | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
EP-3838400-A1 | Perovskite solar cell provided with an adsorbent material for adsorbing toxic materials | 20191217 |
WO-2021122851-A1 | Perovskite solar cell provided with an adsorbent material for adsorbing toxic materials | 20191217 |
JP-2021028358-A | Adhesives and adhesive sheets | 20190809 |
PMID | Publication Date | Title | Journal |
21353727 | 20110501 | Discovery of novel SERCA inhibitors by virtual screening of a large compound library | European journal of medicinal chemistry |
19197928 | 20090101 | Design of protonated polyazamacrocycles based on phenanthroline motifs for selective uptake of aromatic carboxylate anions and herbicides | Chemistry (Weinheim an der Bergstrasse, Germany) |
21581125 | 20081108 | catena-Poly[[[tetra-quazinc(II)]-μ-2,5-dihydroxy-benzene-1,4-diacetato-κO:O] dihydrate] | Acta crystallographica. Section E, Structure reports online |
17692525 | 20071015 | Mono- and disalicylic acid derivatives: PTP1B inhibitors as potential anti-obesity drugs | Bioorganic & medicinal chemistry |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.04773803 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.04773803 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 115 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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