| CAS Number | 202737-46-0 |
| Catalog Number | AG00BHBN(AGN-PC-040U6M) |
| Chemical Name | 1-(Thiophen-2-yl)cyclopentanecarboxylic acid |
| IUPAC Name | 1-thiophen-2-ylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C10H12O2S/c11-9(12)10(5-1-2-6-10)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,11,12) |
| InChI Key | CZCLTIDPEQAYOD-UHFFFAOYSA-N |
| MDL Number | MFCD11518884 |
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.2661 |
| SMILES | S1C(=CC=C1)C1(CCCC1)C(=O)O |
| Synonyms | 202737-46-0,
1-(2-Thienyl)cyclopentanecarboxylic acid,
1-(thiophen-2-yl)cyclopentanecarboxylic acid,
1-(thiophen-2-yl)cyclopentane-1-carboxylic acid,
F2148-0035,
Cyclopentanecarboxylic acid, 1-(2-thienyl)-,
SCHEMBL2978592,
DTXSID20632640,
CZCLTIDPEQAYOD-UHFFFAOYSA-N,
ZINC16837746,
AKOS011792433,
MCULE-3917486993,
VU0494796-1,
L-3645,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.264g/mol |
| Monoisotopic Mass | 196.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number