| CAS Number | 80305-06-2 |
| Catalog Number | AG008MY2(AGN-PC-0NK753) |
| Chemical Name | 2-(Thiophen-3-yloxy)acetic acid |
| IUPAC Name | 2-thiophen-3-yloxyacetic acid |
| InChI | InChI=1S/C6H6O3S/c7-6(8)3-9-5-1-2-10-4-5/h1-2,4H,3H2,(H,7,8) |
| InChI Key | ZJKVAVOAEMCJGI-UHFFFAOYSA-N |
| MDL Number | MFCD13704999 |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.1750 |
| SMILES | OC(COC1=CSC=C1)=O |
| Synonyms | 2-(Thiophen-3-yloxy)acetic acid,
80305-06-2,
Acetic acid, (3-thienyloxy)-,
SCHEMBL3905861,
CTK2I7559,
DTXSID30509379,
[(Thiophen-3-yl)oxy]acetic acid,
ZINC39282604,
AKOS022635760,
Z1998636849,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.171g/mol |
| Monoisotopic Mass | 158.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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