| CAS Number | 852840-42-7 |
| Catalog Number | AG00IDMA(AGN-PC-0WORSC) |
| Chemical Name | 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetic Acid |
| IUPAC Name | 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetic acid |
| InChI | InChI=1S/C11H12O2S/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13) |
| InChI Key | RUVTVWNOODRTNI-UHFFFAOYSA-N |
| MDL Number | MFCD06655566 |
| Molecular Formula | C11H12O2S |
| Molecular Weight | 208.2768 |
| SMILES | OC(CSC1=CC2=C(CCC2)C=C1)=O |
| Synonyms | 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetic Acid,
852840-42-7,
(2,3-dihydro-1H-inden-5-ylthio)acetic acid,
AC1NLQ5Z,
AC1Q76AZ,
CTK7J5658,
HMS1781P01,
ZINC4205988,
MFCD06655566,
AKOS008987413,
MCULE-3323949410,
NE43685,
EN300-12922,
Z85927507,
CID4962132,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.275g/mol |
| Monoisotopic Mass | 208.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number