| CAS Number | 127461-58-9 |
| Catalog Number | AG01A4HJ |
| Chemical Name | 3,4-dihydro-2H-1-benzopyran-6-sulfonic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-6-sulfonic acid |
| InChI | InChI=1S/C9H10O4S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,10,11,12) |
| InChI Key | ZCDMGFHZKGALMR-UHFFFAOYSA-N |
| MDL Number | MFCD21963234 |
| Molecular Formula | C9H10O4S |
| Molecular Weight | 214.2383 |
| SMILES | OS(C1=CC2=C(OCCC2)C=C1)(=O)=O |
| Synonyms | 3,4-dihydro-2H-1-benzopyran-6-sulfonic acid,
127461-58-9,
SCHEMBL6307961,
ZINC82533939,
AKOS022773291,
MCULE-8214371282,
NE44810,
Z1592024661,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.235g/mol |
| Monoisotopic Mass | 214.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number