| CAS Number | 32811-83-9 |
| Catalog Number | AG01BTNQ(AGN-PC-042YC8) |
| Chemical Name | bicyclo[2.1.0]pentane-1-carboxylic acid |
| IUPAC Name | bicyclo[2.1.0]pentane-1-carboxylic acid |
| InChI | InChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8) |
| InChI Key | URZGHXFWPDANHP-UHFFFAOYSA-N |
| MDL Number | MFCD19230349 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | OC(=O)C12CCC2C1 |
| Synonyms | Bicyclo[2.1.0]pentane-1-carboxylic acid,
32811-83-9,
SCHEMBL9422737,
AKOS006386403,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number