3-(furan-2-yl)-2-methylpropanoic acid - CAS 6969-36-4
Catalog: |
BB033930 |
Product Name: |
3-(furan-2-yl)-2-methylpropanoic acid |
CAS: |
6969-36-4 |
Synonyms: |
3-(2-furanyl)-2-methylpropanoic acid; 3-(furan-2-yl)-2-methylpropanoic acid |
IUPAC Name: | 3-(furan-2-yl)-2-methylpropanoic acid |
Description: | 3-(furan-2-yl)-2-methylpropanoic acid (CAS# 6969-36-4) is a useful research chemical. |
Molecular Weight: | 154.165 |
Molecular Formula: | C8H10O3 |
Canonical SMILES: | CC(CC1=CC=CO1)C(=O)O |
InChI: | InChI=1S/C8H10O3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10) |
InChI Key: | BAMODTDOWULALQ-UHFFFAOYSA-N |
Boiling Point: | 252.7 ℃ at 760 mmHg |
Density: | 1.158 g/cm3 |
LogP: | 1.54280 |
Publication Number | Title | Priority Date |
WO-2017220302-A1 | Enzyme stabilizers | 20160622 |
US-2017152443-A1 | Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element | 20151201 |
EP-3313998-A1 | Method for the production of isoamyl alcohol | 20150626 |
EP-3313998-B1 | Method for the enzymatic production of isoamyl alcohol | 20150626 |
WO-2016207267-A1 | Method for the production of isoamyl alcohol | 20150626 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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