| CAS Number | 865187-80-0 |
| Catalog Number | AG01AMD0(AGN-PC-0CO1V7) |
| Chemical Name | Methyl 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylate |
| IUPAC Name | methyl 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C9H10O4S/c1-12-8(10)5-7-6(3-4-14-7)9(11)13-2/h3-4H,5H2,1-2H3 |
| InChI Key | CZVXRIPCFBZBGR-UHFFFAOYSA-N |
| MDL Number | MFCD26391239 |
| Molecular Formula | C9H10O4S |
| Molecular Weight | 214.2383 |
| SMILES | COC(CC1=C(C(OC)=O)C=CS1)=O |
| Synonyms | methyl 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylate,
865187-80-0,
SCHEMBL2719139,
CZVXRIPCFBZBGR-UHFFFAOYSA-N,
ZINC83298491,
AKOS022976720,
methyl 2-(2-methoxy-2-oxoethyl)-3-thienoate,
methyl 2-methoxycarbonylmethylthiophen-3-carboxylate,
3-(Methoxycarbonyl)-2-thiopheneacetic acid methyl ester,
Z2216314152,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.235g/mol |
| Monoisotopic Mass | 214.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number