2,3-Dimethoxybenzoic acid - CAS 1521-38-6
Catalog: |
BB010752 |
Product Name: |
2,3-Dimethoxybenzoic acid |
CAS: |
1521-38-6 |
Synonyms: |
2,3-dimethoxybenzoic acid |
IUPAC Name: | 2,3-dimethoxybenzoic acid |
Description: | 2,3-Dimethoxybenzoic acid (CAS# 1521-38-6) is a useful research chemical. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=CC=CC(=C1OC)C(=O)O |
InChI: | InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | FODBVCSYJKNBLO-UHFFFAOYSA-N |
Boiling Point: | 304.4 °C at 760 mmHg |
Melting Point: | 121-124 °C |
Purity: | 95 % |
Density: | 1.214 g/cm3 |
Appearance: | Light beige fine crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002432 |
LogP: | 1.40200 |
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 |
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PMID | Publication Date | Title | Journal |
21938262 | 20110101 | New Methods for Labeling RGD Peptides with Bromine-76 | Theranostics |
18088442 | 20071219 | Synthesis of crispine A analogues via an intramolecular Schmidt reaction | Beilstein journal of organic chemistry |
15762490 | 20041101 | [Synthesis and characterization of mixed ligand complexes rare earth with 2,3-dimethoxylbenzoic acid and 1,10-phenanthroline] | Guang pu xue yu guang pu fen xi = Guang pu |
15131362 | 20040501 | catena-Poly[europium(III)-tri-micro-2,3-dimethoxybenzoato] | Acta crystallographica. Section C, Crystal structure communications |
11588367 | 20010901 | Tetrakis(mu-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)] | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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