| CAS Number | 923244-16-0 |
| Catalog Number | AG019K9D(AGN-PC-0WOCW5) |
| Chemical Name | 5-cyclopropaneamidothiophene-2-carboxylic acid |
| IUPAC Name | 5-(cyclopropanecarbonylamino)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C9H9NO3S/c11-8(5-1-2-5)10-7-4-3-6(14-7)9(12)13/h3-5H,1-2H2,(H,10,11)(H,12,13) |
| InChI Key | DGZWPZIMGXXBLC-UHFFFAOYSA-N |
| MDL Number | MFCD08691189 |
| Molecular Formula | C9H9NO3S |
| Molecular Weight | 211.2377 |
| SMILES | OC(C1SC(NC(C2CC2)=O)=CC=1)=O |
| Synonyms | 5-cyclopropaneamidothiophene-2-carboxylic acid,
923244-16-0,
5-[(cyclopropylcarbonyl)amino]thiophene-2-carboxylic acid,
AC1Q73CK,
CTK7F6203,
ZINC9256643,
AKOS009104574,
MCULE-3280073404,
NE44412,
EN300-26030,
Z221429086,
|
| Complexity | 265 |
| 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 | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number