| CAS Number | 134937-34-1 |
| Catalog Number | AG009HX7(AGN-PC-0031WK) |
| Chemical Name | 1-(Benzenesulfonyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(benzenesulfonyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O4S/c13-11(14)12(8-4-5-9-12)17(15,16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14) |
| InChI Key | MSNDNUCIDZJDMT-UHFFFAOYSA-N |
| MDL Number | MFCD00764656 |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.3022 |
| SMILES | OC(C1(S(C2=CC=CC=C2)(=O)=O)CCCC1)=O |
| Synonyms | 1-(phenylsulfonyl)cyclopentanecarboxylic acid,
134937-34-1,
1-(benzenesulfonyl)cyclopentane-1-carboxylic acid,
CTK4B9557,
DTXSID60565746,
AC1Q7208,
ZINC9646739,
AKOS008081461,
MCULE-6608275877,
NE54651,
AJ-59588,
RT-006131,
1-Phenylsulfonylcyclopentane-1-carboxylic acid,
EN300-25554,
Z212063026,
1- CYCLOPENTANECARBOXYLICACID,
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| Complexity | 381 |
| 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 | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number