1-(3,4-Dimethoxyphenyl)cyclobutanecarboxylic Acid - CAS 147406-22-2
Catalog: |
BB010197 |
Product Name: |
1-(3,4-Dimethoxyphenyl)cyclobutanecarboxylic Acid |
CAS: |
147406-22-2 |
Synonyms: |
1-(3,4-dimethoxyphenyl)-1-cyclobutanecarboxylic acid; 1-(3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(3,4-Dimethoxyphenyl)cyclobutanecarboxylic Acid (CAS# 147406-22-2) is a useful research chemical. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2(CCC2)C(=O)O)OC |
InChI: | InChI=1S/C13H16O4/c1-16-10-5-4-9(8-11(10)17-2)13(12(14)15)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15) |
InChI Key: | DRZBWKSCHXEQIO-UHFFFAOYSA-N |
LogP: | 2.21010 |
Publication Number | Title | Priority Date |
KR-102230832-B1 | N-substituted thiourea or urea derivatives and pharmaceutical composition for use in preventing or treating glutaminyl cyclase activity related diseases containing the same as an active ingredient | 20190617 |
KR-20200144180-A | N-substituted thiourea or urea derivatives and pharmaceutical composition for use in preventing or treating glutaminyl cyclase activity related diseases containing the same as an active ingredient | 20190617 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-2017305891-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
Complexity: | 285 |
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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