1,3-Benzodioxole-4-carboxylic Acid - CAS 5768-39-8
Catalog: |
BB029788 |
Product Name: |
1,3-Benzodioxole-4-carboxylic Acid |
CAS: |
5768-39-8 |
Synonyms: |
1,3-benzodioxole-4-carboxylic acid; 1,3-benzodioxole-4-carboxylic acid |
IUPAC Name: | 1,3-benzodioxole-4-carboxylic acid |
Description: | 1,3-Benzodioxole-4-carboxylic Acid (CAS# 5768-39-8) is a useful research chemical. |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1OC2=CC=CC(=C2O1)C(=O)O |
InChI: | InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10) |
InChI Key: | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
Boiling Point: | 318.3 °C at 760 mmHg |
Density: | 1.468 g/cm3 |
MDL: | MFCD01076411 |
LogP: | 1.11350 |
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PMID | Publication Date | Title | Journal |
19351425 | 20081105 | ATR-FTIR spectroscopy detects alterations induced by organotin(IV) carboxylates in MCF-7 cells at sub-cytotoxic/-genotoxic concentrations | PMC biophysics |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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