1-(3,5-Dimethoxyphenyl)cyclobutanecarboxylic Acid - CAS 1260666-79-2
Catalog: |
BB006328 |
Product Name: |
1-(3,5-Dimethoxyphenyl)cyclobutanecarboxylic Acid |
CAS: |
1260666-79-2 |
Synonyms: |
1-(3,5-dimethoxyphenyl)-1-cyclobutanecarboxylic acid; 1-(3,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(3,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(3,5-Dimethoxyphenyl)cyclobutanecarboxylic Acid (CAS# 1260666-79-2 ) is a useful research chemical. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | COC1=CC(=CC(=C1)C2(CCC2)C(=O)O)OC |
InChI: | InChI=1S/C13H16O4/c1-16-10-6-9(7-11(8-10)17-2)13(12(14)15)4-3-5-13/h6-8H,3-5H2,1-2H3,(H,14,15) |
InChI Key: | ZVPKIKLWTMTSTA-UHFFFAOYSA-N |
LogP: | 2.21010 |
Publication Number | Title | Priority Date |
US-2016108016-A1 | Novel Cannabinergic Compounds and Uses Thereof | 20120906 |
US-2019185443-A1 | Novel Cannabinergic Compounds And Uses Thereof | 20120906 |
WO-2014039042-A1 | Novel cannabinergic compounds and uses thereof | 20120906 |
US-10882838-B2 | Cannabinergic compounds and uses thereof | 20120906 |
US-2021101878-A1 | Cannabinergic Compounds And Uses Thereof | 20120906 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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