| CAS Number | 83396-73-0 |
| Catalog Number | AG0054LC(AGN-PC-0OITMP) |
| Chemical Name | 2-acetamido-3-(thiophen-2-yl)prop-2-enoic acid |
| IUPAC Name | 2-acetamido-3-thiophen-2-ylprop-2-enoic acid |
| InChI | InChI=1S/C9H9NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-5H,1H3,(H,10,11)(H,12,13) |
| InChI Key | GIYLBBHMKLRLOF-UHFFFAOYSA-N |
| MDL Number | MFCD01313644 |
| Molecular Formula | C9H9NO3S |
| Molecular Weight | 211.2377 |
| SMILES | CC(NC(C(O)=O)=CC1SC=CC=1)=O |
| Synonyms | 68762-59-4,
2-Acetamido-3-(thiophen-2-yl)acrylic acid,
2-(ACETYLAMINO)-3-(2-THIENYL)-ACRYLIC ACID,
2-(acetylamino)-3-(2-thienyl)-2-propenoic acid,
ChemDiv3_004031,
AC1LFC43,
2-Propenoic acid, 2-(acetylamino)-3-(2-thienyl)-, (Z)-,
CTK3D2498,
CTK5C8419,
83396-73-0,
KS-000025JO,
AKOS030240122,
MCULE-9861048892,
FT-0608713,
2-acetamido-3-thiophen-2-ylprop-2-enoic acid,
CID751365,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.235g/mol |
| Monoisotopic Mass | 211.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number