| CAS Number | 933747-41-2 |
| Catalog Number | AG00H119(AGN-PC-0WNNJY) |
| Chemical Name | 6,7-Dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid |
| IUPAC Name | 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid |
| InChI | InChI=1S/C8H8O3S/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2,(H,9,10) |
| InChI Key | JTAGXSCOVOJESP-UHFFFAOYSA-N |
| MDL Number | MFCD12088019 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | O=C(C(S1)=CC2=C1CCOC2)O |
| Synonyms | 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid,
933747-41-2,
4H,6H,7H-thieno[3,2-c]pyran-2-carboxylic acid,
AC1Q73SN,
SCHEMBL3747986,
DTXSID50656233,
MFCD12088019,
ZINC36306288,
AKOS009624870,
AS-8975,
NE61653,
AJ-92601,
AM807298,
EN001368,
EN300-68699,
Z1160899491,
|
| Complexity | 195 |
| 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 | 1 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number