| CAS Number | 21010-07-1 |
| Catalog Number | AG01AH30(AGN-PC-00N88V) |
| Chemical Name | 6-(Thiophen-2-yl)hexanoic acid |
| IUPAC Name | 6-thiophen-2-ylhexanoic acid |
| InChI | InChI=1S/C10H14O2S/c11-10(12)7-3-1-2-5-9-6-4-8-13-9/h4,6,8H,1-3,5,7H2,(H,11,12) |
| InChI Key | QGRMMRTWWJNTMT-UHFFFAOYSA-N |
| MDL Number | MFCD12172599 |
| Molecular Formula | C10H14O2S |
| Molecular Weight | 198.2820 |
| SMILES | OC(CCCCCC1SC=CC=1)=O |
| Synonyms | 6-(thiophen-2-yl)hexanoic acid,
21010-07-1,
6-thiophen-2-yl-hexanoic acid,
SCHEMBL503641,
5-(2-thenyl) pentanoic acid,
AC1Q75F9,
ZINC34101907,
AKOS008132479,
MCULE-5748599231,
NE35854,
EN300-73536,
Z1259339906,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.28g/mol |
| Monoisotopic Mass | 198.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number