| CAS Number | 870693-01-9 |
| Catalog Number | AG019ORH |
| Chemical Name | 1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C15H19NO4S/c17-15(18)12-6-8-16(9-7-12)21(19,20)14-5-4-11-2-1-3-13(11)10-14/h4-5,10,12H,1-3,6-9H2,(H,17,18) |
| InChI Key | FRWGHYGZFIIQJU-UHFFFAOYSA-N |
| MDL Number | MFCD07346335 |
| Molecular Formula | C15H19NO4S |
| Molecular Weight | 309.3807 |
| SMILES | OC(C1CCN(S(C2=CC3=C(CCC3)C=C2)(=O)=O)CC1)=O |
| Synonyms | 1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidine-4-carboxylic acid,
870693-01-9,
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylic Acid,
AC1OFL3I,
AC1Q74NN,
CTK7J0264,
ZINC4218693,
AKOS008940325,
MCULE-8128211920,
NE37780,
EN300-14991,
AB00741979-01,
Z45524931,
CID7131282,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.38g/mol |
| Monoisotopic Mass | 309.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number