| CAS Number | 1258649-72-7 |
| Catalog Number | AG01AANZ(AGN-PC-0WOC4Y) |
| Chemical Name | 2-(4H,5H,7H-Thieno[2,3-c]pyran-7-yl)acetic acid |
| IUPAC Name | 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetic acid |
| InChI | InChI=1S/C9H10O3S/c10-8(11)5-7-9-6(1-3-12-7)2-4-13-9/h2,4,7H,1,3,5H2,(H,10,11) |
| InChI Key | HUPCAJKSCWGASO-UHFFFAOYSA-N |
| MDL Number | MFCD17167248 |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.2389 |
| SMILES | OC(CC1C2=C(C=CS2)CCO1)=O |
| Synonyms | 2-{4H,5H,7H-thieno[2,3-c]pyran-7-yl}acetic acid,
1258649-72-7,
AC1Q7547,
AKOS026729982,
MCULE-9016165881,
NE46347,
EN300-69122,
4,7-Dihydro-5H-thieno[2,3-c]pyran-7-ylacetic acid,
Z1160899528,
2-(4h,5h,7h-thieno[2,3-c]pyran-7-yl)acetic acid,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.236g/mol |
| Monoisotopic Mass | 198.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number