| CAS Number | 1263083-03-9 |
| Catalog Number | AG01A5D3(AGN-PC-0WO1X9) |
| Chemical Name | 1H,4H,6H,7H-Pyrano[4,3-b]pyrrole-2-carboxylic acid |
| IUPAC Name | 1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c10-8(11)7-3-5-4-12-2-1-6(5)9-7/h3,9H,1-2,4H2,(H,10,11) |
| InChI Key | UBSCTSBSAAFJLR-UHFFFAOYSA-N |
| MDL Number | MFCD22068040 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | O=C(C1=CC(COCC2)=C2N1)O |
| Synonyms | 1H,4H,6H,7H-pyrano[4,3-b]pyrrole-2-carboxylic acid,
1263083-03-9,
SCHEMBL13562317,
ZINC82402731,
AKOS022712859,
Z2293605544,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number