| CAS Number | 1092287-15-4 |
| Catalog Number | AG01A9AB |
| Chemical Name | 5-(Methanesulfonylmethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(methylsulfonylmethyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C7H8O5S/c1-13(10,11)4-5-2-3-6(12-5)7(8)9/h2-3H,4H2,1H3,(H,8,9) |
| InChI Key | QNSYEJUUFPWONC-UHFFFAOYSA-N |
| MDL Number | MFCD11557262 |
| Molecular Formula | C7H8O5S |
| Molecular Weight | 204.2004 |
| SMILES | CS(=O)(=O)CC1=CC=C(O1)C(=O)O |
| Synonyms | 5-(methanesulfonylmethyl)furan-2-carboxylic acid,
1092287-15-4,
AC1Q4GM5,
ZINC26507165,
AKOS009112354,
MCULE-5159690847,
NE32589,
EN300-64569,
Z228583256,
5-Methanesulfonylmethyl-furan-2-carboxylic acid,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.196g/mol |
| Monoisotopic Mass | 204.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number