4-Methylisophthalic Acid - CAS 3347-99-7
Catalog: |
BB021736 |
Product Name: |
4-Methylisophthalic Acid |
CAS: |
3347-99-7 |
Synonyms: |
4-methylbenzene-1,3-dicarboxylic acid; 4-methylbenzene-1,3-dicarboxylic acid |
IUPAC Name: | 4-methylbenzene-1,3-dicarboxylic acid |
Description: | 4-Methylisophthalic Acid (CAS# 3347-99-7) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | PNWSHHILERSSLF-UHFFFAOYSA-N |
LogP: | 1.39140 |
Publication Number | Title | Priority Date |
CN-111995743-A | Silsesquioxane modified bifunctional polyester resin and preparation method thereof | 20200820 |
JP-2020158782-A | Biodegradable copolymer and its manufacturing method and biodegradability improving method | 20200630 |
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WO-2021171756-A1 | Resin composiiton and fluidity improvement method | 20200228 |
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PMID | Publication Date | Title | Journal |
11514158 | 20010820 | Synthesis of OSW-1 analogues and a dimer and their antitumor activities | Bioorganic & medicinal chemistry letters |
Complexity: | 224 |
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: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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