1-(1,3-Benzodioxol-5-yl)cyclobutanecarboxylic Acid - CAS 202737-28-8
Catalog: |
BB015750 |
Product Name: |
1-(1,3-Benzodioxol-5-yl)cyclobutanecarboxylic Acid |
CAS: |
202737-28-8 |
Synonyms: |
1-(1,3-benzodioxol-5-yl)-1-cyclobutanecarboxylic acid; 1-(1,3-benzodioxol-5-yl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(1,3-benzodioxol-5-yl)cyclobutane-1-carboxylic acid |
Description: | 1-(1,3-Benzodioxol-5-yl)cyclobutanecarboxylic Acid (CAS# 202737-28-8 ) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | C1CC(C1)(C2=CC3=C(C=C2)OCO3)C(=O)O |
InChI: | InChI=1S/C12H12O4/c13-11(14)12(4-1-5-12)8-2-3-9-10(6-8)16-7-15-9/h2-3,6H,1,4-5,7H2,(H,13,14) |
InChI Key: | HMFWQYJNPXGQTK-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
WO-2005077463-A2 | Ligand for a monoamine receptor or transporter for treating addiction or dependence | 20040204 |
EP-1716122-B1 | Modulators of atp-binding cassette transporters | 20040130 |
AU-2001290873-B2 | Ligands for monoamine receptors and transporters, and methods of use thereof (neurotransmission) | 20000911 |
CA-2422055-A1 | Ligands for monoamine receptors and transporters, and methods of use thereof (neurotransmission) | 20000911 |
EP-1318988-A2 | Ligands for monoamine receptors and transporters, and methods of use thereof (neurotransmission) | 20000911 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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