| CAS Number | 1019383-42-6 |
| Catalog Number | AG01AASZ |
| Chemical Name | 2-(2,3-dihydro-1H-indene-5-amido)thiophene-3-carboxylic acid |
| IUPAC Name | 2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C15H13NO3S/c17-13(16-14-12(15(18)19)6-7-20-14)11-5-4-9-2-1-3-10(9)8-11/h4-8H,1-3H2,(H,16,17)(H,18,19) |
| InChI Key | HDZMVOKNJNGOLN-UHFFFAOYSA-N |
| MDL Number | MFCD13563551 |
| Molecular Formula | C15H13NO3S |
| Molecular Weight | 287.3336 |
| SMILES | OC(C1=C(NC(C2=CC3=C(CCC3)C=C2)=O)SC=C1)=O |
| Synonyms | 2-(2,3-dihydro-1H-indene-5-amido)thiophene-3-carboxylic acid,
1019383-42-6,
AC1Q72F7,
ZINC19803837,
AKOS000200113,
MCULE-9200350605,
NE33305,
EN300-69476,
Z234896827,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.333g/mol |
| Monoisotopic Mass | 287.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number