| CAS Number | 70596-07-5 |
| Catalog Number | AG01BH7Z(AGN-PC-0NK6R7) |
| Chemical Name | 2-(3-Methylthiophen-2-YL)acetic acid |
| IUPAC Name | 2-(3-methylthiophen-2-yl)acetic acid |
| InChI | InChI=1S/C7H8O2S/c1-5-2-3-10-6(5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9) |
| InChI Key | YTGJNMDKPCCOOT-UHFFFAOYSA-N |
| MDL Number | MFCD16715922 |
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.2022 |
| SMILES | CC1=C(CC(O)=O)SC=C1 |
| Synonyms | 2-(3-METHYLTHIOPHEN-2-YL)ACETIC ACID,
70596-07-5,
SCHEMBL1295399,
YTGJNMDKPCCOOT-UHFFFAOYSA-N,
2-Thiopheneacetic acid, 3-methyl-,
(3-methylthiophen-2-yl)acetic acid,
AKOS011637572,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.199g/mol |
| Monoisotopic Mass | 156.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number