Methyl 3-[4-[(Trimethylsilyl)ethynyl]phenyl]propanoate - CAS 1082059-14-0
Catalog: |
BB002198 |
Product Name: |
Methyl 3-[4-[(Trimethylsilyl)ethynyl]phenyl]propanoate |
CAS: |
1082059-14-0 |
Synonyms: |
3-[4-(2-trimethylsilylethynyl)phenyl]propanoic acid methyl ester; methyl 3-[4-(2-trimethylsilylethynyl)phenyl]propanoate |
IUPAC Name: | methyl 3-[4-(2-trimethylsilylethynyl)phenyl]propanoate |
Description: | Methyl 3-[4-[(Trimethylsilyl)ethynyl]phenyl]propanoate (CAS# 1082059-14-0 ) is a useful research chemical. |
Molecular Weight: | 260.40 |
Molecular Formula: | C15H20O2Si |
Canonical SMILES: | COC(=O)CCC1=CC=C(C=C1)C#C[Si](C)(C)C |
InChI: | InChI=1S/C15H20O2Si/c1-17-15(16)10-9-13-5-7-14(8-6-13)11-12-18(2,3)4/h5-8H,9-10H2,1-4H3 |
InChI Key: | KQULSZAOIPIPGZ-UHFFFAOYSA-N |
LogP: | 3.02110 |
Publication Number | Title | Priority Date |
JP-6449469-B2 | Tolane compounds | 20150917 |
JP-WO2017047807-A1 | Tolane compounds | 20150917 |
US-10577396-B2 | Tolan compound | 20150917 |
US-2018258141-A1 | Tolan compound | 20150917 |
WO-2017047807-A1 | Tolan compound | 20150917 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.123256411 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.123256411 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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