| CAS Number | 41908-01-4 |
| Catalog Number | AG00C5RQ(AGN-PC-0WB3BY) |
| Chemical Name | (5-acetyl-3-thienyl)methyl acetate |
| IUPAC Name | (5-acetylthiophen-3-yl)methyl acetate |
| InChI | InChI=1S/C9H10O3S/c1-6(10)9-3-8(5-13-9)4-12-7(2)11/h3,5H,4H2,1-2H3 |
| InChI Key | HORYDIOBEXQINE-UHFFFAOYSA-N |
| MDL Number | MFCD08059769 |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.2389 |
| SMILES | C1(C(C)=O)=CC(=CS1)COC(C)=O |
| Synonyms | 41908-01-4,
(5-Acetylthiophen-3-yl)methyl acetate,
(5-ACETYL-3-THIENYL)METHYL ACETATE,
CHEMBRDG-BB 4004636,
CTK4I5417,
DTXSID10650818,
(5-Acetyl-3-thienyl)methylacetate,
ZX-CM002915,
MFCD08059769,
ZINC19088635,
AKOS006280310,
ACM41908014,
AJ-71020,
Y-3361,
4004636-25G,
4004636-50G,
CHEMBRDG-BB4004636,
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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 | 198.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.236g/mol |
| Monoisotopic Mass | 198.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number