| CAS Number | 940781-41-9 |
| Catalog Number | AG019PAI |
| Chemical Name | 3-[(thiophen-3-yl)formamido]propanoic acid |
| IUPAC Name | 3-(thiophene-3-carbonylamino)propanoic acid |
| InChI | InChI=1S/C8H9NO3S/c10-7(11)1-3-9-8(12)6-2-4-13-5-6/h2,4-5H,1,3H2,(H,9,12)(H,10,11) |
| InChI Key | JVQPEIWAULPLAF-UHFFFAOYSA-N |
| MDL Number | MFCD09388775 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | OC(CCNC(C1=CSC=C1)=O)=O |
| Synonyms | 3-(thiophen-3-ylformamido)propanoic acid,
3-[(thien-3-ylcarbonyl)amino]propanoic acid,
940781-41-9,
AC1Q75N5,
CTK7J4331,
ZINC12504848,
AKOS000263886,
MCULE-2931358144,
NE36774,
EN300-22997,
|
| Complexity | 208 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number