| CAS Number | 1559792-34-5 |
| Catalog Number | AG01DVO8 |
| Chemical Name | 3-OXA-BICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID, Mixture of diastereomers |
| IUPAC Name | 3-oxabicyclo[4.1.0]heptane-7-carboxylic acid |
| InChI | InChI=1S/C7H10O3/c8-7(9)6-4-1-2-10-3-5(4)6/h4-6H,1-3H2,(H,8,9) |
| InChI Key | ASUKEWRBGZOLAH-UHFFFAOYSA-N |
| MDL Number | MFCD26381466 |
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.1525 |
| SMILES | C12COCCC2C1C(=O)O |
| Synonyms | 1559792-34-5,
(1R*,6S*)-3-Oxabicyclo[4.1.0]heptane-7-carboxylic acid,
3-OXA-BICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID, Mixture of diastereomers,
3-Oxa-bicyclo[4.1.0]heptane-7-carboxylic acid,
|
| Complexity | 166 |
| 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 | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number