| CAS Number | 1384433-83-3 |
| Catalog Number | AG019YYS(AGN-PC-0WO97J) |
| Chemical Name | 3-{[(furan-2-yl)methyl]sulfanyl}prop-2-enoic acid |
| IUPAC Name | 3-(furan-2-ylmethylsulfanyl)prop-2-enoic acid |
| InChI | InChI=1S/C8H8O3S/c9-8(10)3-5-12-6-7-2-1-4-11-7/h1-5H,6H2,(H,9,10) |
| InChI Key | GTNXNVOMXUGSQS-UHFFFAOYSA-N |
| MDL Number | MFCD22196585 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | OC(C=CSCC1OC=CC=1)=O |
| Synonyms | 1384433-83-3,
3-[(furan-2-ylmethyl)sulfanyl]prop-2-enoic acid,
AKOS018432356,
MCULE-4132561770,
3-{[(furan-2-yl)methyl]sulfanyl}prop-2-enoic acid,
Z1815156910,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number