| CAS Number | 1706450-79-4 |
| Catalog Number | AG01BXV3 |
| Chemical Name | 7-Oxabicyclo[2.2.1]Heptane-1-Carboxylic Acid |
| IUPAC Name | 7-oxabicyclo[2.2.1]heptane-1-carboxylic acid |
| InChI | InChI=1S/C7H10O3/c8-6(9)7-3-1-5(10-7)2-4-7/h5H,1-4H2,(H,8,9) |
| InChI Key | XUOHEKMIZPOOOI-UHFFFAOYSA-N |
| MDL Number | MFCD28122800 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | OC(=O)C12OC(CC2)CC1 |
| Synonyms | 7-oxabicyclo[2.2.1]heptane-1-carboxylic acid,
1706450-79-4,
SCHEMBL4738733,
ZINC167561043,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.154g/mol |
| Monoisotopic Mass | 142.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number