| CAS Number | 1343976-73-7 |
| Catalog Number | AG01BEI8(AGN-PC-0WOW7N) |
| Chemical Name | 2-[(1,3-thiazol-4-yl)formamido]acetic acid |
| IUPAC Name | 2-(1,3-thiazole-4-carbonylamino)acetic acid |
| InChI | InChI=1S/C6H6N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h2-3H,1H2,(H,7,11)(H,9,10) |
| InChI Key | OKQZQWACTBCZPR-UHFFFAOYSA-N |
| MDL Number | MFCD17276726 |
| Molecular Formula | C6H6N2O3S |
| Molecular Weight | 186.1884 |
| SMILES | OC(CNC(C1N=CSC=1)=O)=O |
| Synonyms | 2-(1,3-thiazol-4-ylformamido)acetic acid,
1343976-73-7,
ZINC62353632,
AKOS012322416,
NE53980,
2-[(1,3-thiazol-4-yl)formamido]acetic acid,
Z1443710220,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.185g/mol |
| Monoisotopic Mass | 186.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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