| CAS Number | 926215-51-2 |
| Catalog Number | AG019N85 |
| Chemical Name | 3-(2,3-dihydro-1H-indene-5-sulfonyl)propanoic acid |
| IUPAC Name | 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoic acid |
| InChI | InChI=1S/C12H14O4S/c13-12(14)6-7-17(15,16)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,13,14) |
| InChI Key | DJFNDMWAGZHPAU-UHFFFAOYSA-N |
| MDL Number | MFCD09044212 |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.3022 |
| SMILES | OC(CCS(C1=CC2=C(CCC2)C=C1)(=O)=O)=O |
| Synonyms | 3-(2,3-dihydro-1H-indene-5-sulfonyl)propanoic acid,
926215-51-2,
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoic acid,
AC1Q75QE,
CTK7J4565,
ZINC21957544,
AKOS000128203,
MCULE-5583216393,
NE29107,
EN300-39642,
AB01000950-01,
Z406679966,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.3g/mol |
| Monoisotopic Mass | 254.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number