| CAS Number | 59086-25-8 |
| Catalog Number | AG00F22I(AGN-PC-0SR9PN) |
| Chemical Name | Ethyl 4-oxo-4-(thiophen-2-yl)butanoate |
| IUPAC Name | ethyl 4-oxo-4-thiophen-2-ylbutanoate |
| InChI | InChI=1S/C10H12O3S/c1-2-13-10(12)6-5-8(11)9-4-3-7-14-9/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | RJEMGPWSHASQJF-UHFFFAOYSA-N |
| MDL Number | MFCD03987969 |
| Molecular Formula | C10H12O3S |
| Molecular Weight | 212.2655 |
| SMILES | CCOC(CCC(C1SC=CC=1)=O)=O |
| Synonyms | ethyl 4-oxo-4-(thiophen-2-yl)butanoate,
59086-25-8,
4-Oxo-4-thiophen-2-yl-butyric acid ethyl ester,
AC1MYXQ9,
AC1Q34QY,
Ethyl 3-(2-thenoyl)propionate,
SCHEMBL2510976,
CTK1H3051,
DTXSID90397552,
ZINC3886156,
AKOS008947779,
ethyl 4-oxo-4-thiophen-2-ylbutanoate,
MCULE-2563536258,
NE24415,
ethyl 4-oxo-4-thiophen-2-yl-butanoate,
EN300-04852,
4-Oxo-4-(2-thienyl)butanoic acid ethyl ester,
4-oxo-4-thiophen-2-ylbutyric acid ethyl ester,
Z53833603,
ZINC03886156,
CID3863898,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.263g/mol |
| Monoisotopic Mass | 212.051g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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