| CAS Number | 926215-69-2 |
| Catalog Number | AG019WUK(AGN-PC-0WO5O1) |
| Chemical Name | 2-[N-methyl-1-(thiophen-3-yl)formamido]acetic acid |
| IUPAC Name | 2-[methyl(thiophene-3-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C8H9NO3S/c1-9(4-7(10)11)8(12)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,10,11) |
| InChI Key | IYZZZYVAXLKCNY-UHFFFAOYSA-N |
| MDL Number | MFCD09043224 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | CN(C(C1=CSC=C1)=O)CC(O)=O |
| Synonyms | 2-(N-methyl-1-thiophen-3-ylformamido)acetic acid,
2-(N-methylthiophen-3-ylformamido)acetic acid,
926215-69-2,
AC1Q3X9P,
CTK7J4704,
ZINC21954514,
AKOS000127066,
MCULE-8053254162,
NE52456,
EN300-53189,
AB01000548-01,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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