| CAS Number | 145161-93-9 |
| Catalog Number | AG01DTDK(AGN-PC-00Q38D) |
| Chemical Name | 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12) |
| InChI Key | GLXWNFBYRBJQAP-UHFFFAOYSA-N |
| MDL Number | MFCD03232515 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | CC1=C(C)C2=C(C=C(C(O)=O)N2)O1 |
| Synonyms | 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid,
CHEMBL503309,
145161-93-9,
SCHEMBL5131775,
BDBM50260771,
AKOS022707933,
4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number