| CAS Number | 1343497-45-9 |
| Catalog Number | AG01ABY3(AGN-PC-0WO0F9) |
| Chemical Name | 5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H7NO5/c11-9(12)7-4-15-8-2-1-5(10(13)14)3-6(7)8/h1-3,7H,4H2,(H,11,12) |
| InChI Key | SSOXGAJFKZQCAD-UHFFFAOYSA-N |
| MDL Number | MFCD19657226 |
| Molecular Formula | C9H7NO5 |
| Molecular Weight | 209.1556 |
| SMILES | OC(C1C2=C(C=CC([N+]([O-])=O)=C2)OC1)=O |
| Synonyms | 5-nitro-2,3-dihydro-1-benzofuran-3-carboxylic acid,
1343497-45-9,
AKOS013450748,
MCULE-2483398031,
NE57212,
Z1814381812,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.157g/mol |
| Monoisotopic Mass | 209.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number