| CAS Number | 1022979-94-7 |
| Catalog Number | AG0095RW(AGN-PC-0WG48T) |
| Chemical Name | Ethyl 2-(6-hydroxy-2,3-dihydrobenzo[b]thiophen-3-yl)acetate |
| IUPAC Name | ethyl 2-(6-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetate |
| InChI | InChI=1S/C12H14O3S/c1-2-15-12(14)5-8-7-16-11-6-9(13)3-4-10(8)11/h3-4,6,8,13H,2,5,7H2,1H3 |
| InChI Key | HDLOSRDUJRIETJ-UHFFFAOYSA-N |
| MDL Number | MFCD28133494 |
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.3028 |
| SMILES | CCOC(=O)CC1CSc2cc(O)ccc12 |
| Synonyms | Ethyl 2-(6-hydroxy-2,3-dihydrobenzo[b]thiophen-3-yl)acetate,
1022979-94-7,
(R)-Ethyl 2-(6-hydroxy-2,3-dihydrobenzo[b]thiophen-3-yl)acetate,
(S)-Ethyl 2-(6-hydroxy-2,3-dihydrobenzo[b]thiophen-3-yl)acetate,
1022979-99-2,
1022980-00-2,
SCHEMBL12214589,
HDLOSRDUJRIETJ-UHFFFAOYSA-N,
MFCD28133494,
AKOS027253293,
TZ000886,
CS-0035730,
ethyl(6-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetate,
ethyl 2-(2,3-dihydro-6-hydroxybenzo[b]thiophen-3-yl)acetate,
ethyl 2-(6-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetate,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.301g/mol |
| Monoisotopic Mass | 238.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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