| CAS Number | 100058-72-8 |
| Catalog Number | AG00VS2H(AGN-PC-0WBPY2) |
| Chemical Name | 1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-thiophen-2-ylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13) |
| InChI Key | TVJXMYFENIHEOZ-UHFFFAOYSA-N |
| MDL Number | MFCD03426862 |
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.2927 |
| SMILES | OC(C1(C2SC=CC=2)CCCCC1)=O |
| Synonyms | 100058-72-8,
1-(thiophen-2-yl)cyclohexane-1-carboxylic acid,
F2189-0460,
1-(2-thienyl)cyclohexanecarboxylic acid,
1-(Thiophen-2-yl)cyclohexanecarboxylic acid,
AC1LGG3V,
SCHEMBL17761271,
DTXSID80356234,
ZINC337225,
AKOS011792254,
MCULE-2546398481,
1-thiophen-2-ylcyclohexane-1-carboxylic acid,
EN300-82008,
L-3013,
Z1235963381,
CID820724,
AP-836/41220444,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.291g/mol |
| Monoisotopic Mass | 210.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number