7-Hydroxy-1,4-benzodioxan-6-carboxylic acid - CAS 197584-99-9
Catalog: |
BB076903 |
Product Name: |
7-Hydroxy-1,4-benzodioxan-6-carboxylic acid |
CAS: |
197584-99-9 |
Synonyms: |
2,3-Dihydro-7-hydroxy-1,4-benzodioxin-6-carboxylic Acid; 7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid; 6-Hydroxy-7-carbonyl acid-1,4-Benzodioxane; 7-Hydroxy-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid; 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-7-hydroxy- |
Application: |
Intermediate in the preparation of Benzoxazines. |
IUPAC Name: | 6-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid |
Molecular Weight: | 196.16 |
Molecular Formula: | C9H8O5 |
Canonical SMILES: | C1COC2=C(O1)C=C(C(=C2)O)C(=O)O |
InChI: | InChI=1S/C9H8O5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2,(H,11,12) |
InChI Key: | IKCKXQPXYWBQSB-UHFFFAOYSA-N |
Boiling Point: | 390.7±42.0°C at 760 mmHg |
Melting Point: | 199-201°C |
Purity: | ≥95% |
Density: | 1.5±0.1 g/cm3 |
Solubility: | Soluble in Dimethylformamide, DMSO, Methanol |
Appearance: | Off-white Solid |
Storage: | Store at 2-8°C |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.03717335 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03717335 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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