Homophthalic acid - CAS 89-51-0
Catalog: |
BB039513 |
Product Name: |
Homophthalic acid |
CAS: |
89-51-0 |
Synonyms: |
2-(carboxymethyl)benzoic acid |
IUPAC Name: | 2-(carboxymethyl)benzoic acid |
Description: | A biotinylated cross-linking reagent. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)C(=O)O |
InChI: | InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13) |
InChI Key: | ZHQLTKAVLJKSKR-UHFFFAOYSA-N |
Boiling Point: | 389.5 °C at 760 mmHg |
Melting Point: | 178-182 °C |
Purity: | 99 % |
Density: | 1.41 g/cm3 |
Appearance: | Off-white to light yellow or pale green powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00004326 |
LogP: | 1.01190 |
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 |
WO-2021193565-A1 | Production method for cyclic compound or derivative thereof | 20200327 |
JP-2021147524-A | Impact resistance improver, impact resistance improver composition containing the same, synthetic resin composition containing these, and a molded product thereof. | 20200319 |
JP-2021147525-A | A fluidity improver, a fluidity improver composition containing the same, a thermoplastic resin composition containing the same, and a molded product thereof. | 20200319 |
JP-2021139045-A | Manufacturing method of fine striatum | 20200303 |
WO-2021171838-A1 | Film with adhesive layer | 20200228 |
PMID | Publication Date | Title | Journal |
22536149 | 20120101 | Zinc oxide nanoparticles catalyzed condensation reaction of isocoumarins and 1,7-heptadiamine in the formation of bis-isoquinolinones | TheScientificWorldJournal |
21540537 | 20110501 | Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(homophthalato-κO)nickel(II) tetrahydrate and the cobalt(II) analogue | Acta crystallographica. Section C, Crystal structure communications |
20188544 | 20100401 | Solvent free synthesis, anti-inflammatory and anticancer activity evaluation of tricyclic and tetracyclic benzimidazole derivatives | Bioorganic & medicinal chemistry letters |
21577958 | 20090926 | 3-(3-Bromo-benz-yl)-1H-isochromen-1-one | Acta crystallographica. Section E, Structure reports online |
21583040 | 20090523 | Bis[μ-2-(2-carboxyl-atophen-yl)acetato]-κO,O:O;κO:O,O-bis-[aqua-(1,10-phenanthroline-κN,N')nickel(II)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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