| CAS Number | 361374-13-2 |
| Catalog Number | AG00VVBC(AGN-PC-0WBKUU) |
| Chemical Name | 5-(Morpholine-4-sulfonyl)furan-2-carboxylic acid |
| IUPAC Name | 5-morpholin-4-ylsulfonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C9H11NO6S/c11-9(12)7-1-2-8(16-7)17(13,14)10-3-5-15-6-4-10/h1-2H,3-6H2,(H,11,12) |
| InChI Key | KUFFIEBVYHIWTO-UHFFFAOYSA-N |
| MDL Number | MFCD02320414 |
| Molecular Formula | C9H11NO6S |
| Molecular Weight | 261.2517 |
| SMILES | OC(C1OC(S(N2CCOCC2)(=O)=O)=CC=1)=O |
| Synonyms | 5-(morpholin-4-ylsulfonyl)-2-furoic acid,
5-(morpholine-4-sulfonyl)furan-2-carboxylic acid,
361374-13-2,
Oprea1_436964,
MLS000948148,
AC1Q73F9,
CHEMBL1498291,
CTK7I8332,
HMS2904C22,
ZINC6721282,
AKOS001713021,
CCG-121811,
MCULE-6379233113,
SMR000620514,
EN300-36070,
Z367450822,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.248g/mol |
| Monoisotopic Mass | 261.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number