3-cyclobutyl-2,2-dimethylpropanoic acid - CAS 1439902-54-1
Catalog: |
BB009701 |
Product Name: |
3-cyclobutyl-2,2-dimethylpropanoic acid |
CAS: |
1439902-54-1 |
Synonyms: |
3-cyclobutyl-2,2-dimethylpropanoic acid; 3-cyclobutyl-2,2-dimethylpropanoic acid |
IUPAC Name: | 3-cyclobutyl-2,2-dimethylpropanoic acid |
Description: | 3-cyclobutyl-2,2-dimethylpropanoic acid (CAS# 1439902-54-1) is a useful research chemical. |
Molecular Weight: | 156.225 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | CC(C)(CC1CCC1)C(=O)O |
InChI: | InChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11) |
InChI Key: | MWJVRKDEBVFQLK-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2020243754-A1 | LIGAND-ENABLED ß-C(sp3)â€"H LACTONIZATION FOR ß-Câ€"H FUNCTIONALIZATIONS | 20190530 |
AU-2017304761-A1 | Pharmaceutical compounds | 20160726 |
CN-109790146-A | Medical compounds | 20160726 |
EP-3490982-A1 | Pharmaceutical compounds | 20160726 |
JP-2019523266-A | Pharmaceutical compounds | 20160726 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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