7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid - CAS 526-34-1
Catalog: |
BB027888 |
Product Name: |
7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid |
CAS: |
526-34-1 |
Synonyms: |
7-methoxy-1,3-benzodioxole-5-carboxylic acid; 7-methoxy-1,3-benzodioxole-5-carboxylic acid |
IUPAC Name: | 7-methoxy-1,3-benzodioxole-5-carboxylic acid |
Description: | 7-methoxy-2H-1,3-benzodioxole-5-carboxylic acid (CAS# 526-34-1 ) is a useful research chemical. |
Molecular Weight: | 196.158 |
Molecular Formula: | C9H8O5 |
Canonical SMILES: | COC1=CC(=CC2=C1OCO2)C(=O)O |
InChI: | InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11) |
InChI Key: | AOHAPDDBNAPPIN-UHFFFAOYSA-N |
Boiling Point: | 351.2 °C at 760 mmHg |
Melting Point: | 212 °C |
Density: | 1.43 g/cm3 |
Solubility: | 866.7 mg/L at 25 °C (est) |
Appearance: | Solid |
LogP: | 1.12210 |
Publication Number | Title | Priority Date |
CN-101146772-A | Arylamine ketones, their composing methods, the pharmaceutical compositions containing them and use | 20040806 |
CN-1730475-A | Aromatic amine ketene compounds, its synthetic method, the pharmaceutical composition that contains it and purposes | 20040806 |
CN-1730475-B | Aromatic amine ketene compounds, its synthesis method, pharmaceutical composition containing same and uses | 20040806 |
CN-1730476-A | Aromatic amine ketone compounds, its synthetic method, the pharmaceutical composition that contains it and purposes | 20040806 |
CN-1730476-B | Aromatic amine ketone compounds, its synthesis method, pharmaceutical composition containing same and uses | 20040806 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03717335 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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