| CAS Number | 1000896-80-9 |
| Catalog Number | AG01DHAH |
| Chemical Name | Methyl 3-(5-methoxythiophen-2-yl)propanoate |
| IUPAC Name | methyl 3-(5-methoxythiophen-2-yl)propanoate |
| InChI | InChI=1S/C9H12O3S/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h4,6H,3,5H2,1-2H3 |
| InChI Key | XPMLHYSGMCEJRI-UHFFFAOYSA-N |
| MDL Number | MFCD25953992 |
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.2548 |
| SMILES | COC(=O)CCc1ccc(s1)OC |
| Synonyms | Methyl 3-(5-methoxythiophen-2-yl)propanoate,
1000896-80-9,
SCHEMBL3932272,
XPMLHYSGMCEJRI-UHFFFAOYSA-N,
CID10262192,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.252g/mol |
| Monoisotopic Mass | 200.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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