| CAS Number | 72078-43-4 |
| Catalog Number | AG01BC14 |
| Chemical Name | 5-(Furan-2-yl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 5-(furan-2-yl)-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C9H7NO3/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-5,10H,(H,11,12) |
| InChI Key | AEMLNYNLJWRYRZ-UHFFFAOYSA-N |
| MDL Number | MFCD07375475 |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.1568 |
| SMILES | OC(C1NC(C2OC=CC=2)=CC=1)=O |
| Synonyms | 5-(furan-2-yl)-1H-pyrrole-2-carboxylic acid,
72078-43-4,
ZINC39321163,
AKOS005141667,
Z2510259570,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.159g/mol |
| Monoisotopic Mass | 177.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number