| CAS Number | 147632-26-6 |
| Catalog Number | AG019ETW(AGN-PC-0Q0MNI) |
| Chemical Name | methyl 2-methyl-2-(thiophen-3-yl)propanoate |
| IUPAC Name | methyl 2-methyl-2-thiophen-3-ylpropanoate |
| InChI | InChI=1S/C9H12O2S/c1-9(2,8(10)11-3)7-4-5-12-6-7/h4-6H,1-3H3 |
| InChI Key | KLAFTYDOLHBHFW-UHFFFAOYSA-N |
| MDL Number | MFCD28363367 |
| Molecular Formula | C9H12O2S |
| Molecular Weight | 184.2554 |
| SMILES | COC(=O)C(C)(C)c1ccsc1 |
| Synonyms | 147632-26-6,
Methyl 2-methyl-2-(thiophen-3-yl)propanoate,
2-methyl-2-thiophen-3-yl-propionic acid methyl ester,
SCHEMBL6420367,
KLAFTYDOLHBHFW-UHFFFAOYSA-N,
MFCD28363367,
AKOS030524493,
2-(3-Thienyl)isobutyric acid methyl ester,
CS-0060269,
2 -methyl-2-(3-thienyl)propionic acid methyl ester,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.253g/mol |
| Monoisotopic Mass | 184.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number