| CAS Number | 181134-66-7 |
| Catalog Number | AG01B6OM |
| Chemical Name | Dispiro[2.0.2^{4}.1^{3}]heptane-7-carboxylic acid |
| IUPAC Name | dispiro[2.0.24.13]heptane-7-carboxylic acid |
| InChI | InChI=1S/C8H10O2/c9-6(10)5-7(1-2-7)8(5)3-4-8/h5H,1-4H2,(H,9,10) |
| InChI Key | ARGZJFVHDICEJO-UHFFFAOYSA-N |
| MDL Number | MFCD19231271 |
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.1638 |
| SMILES | OC(C1C2(CC2)C21CC2)=O |
| Synonyms | dispiro[2.0.2^{4}.1^{3}]heptane-7-carboxylic acid,
181134-66-7,
SCHEMBL20253443,
AKOS006383146,
CS-0081461,
Dispiro[2.0.2.1]heptane-7-carboxylic acid,
Dispiro[2.0.24.13]heptane-7-carboxylic acid,
dispiro[2.0.2.1(3)]heptane-7-carboxylic acid,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.166g/mol |
| Monoisotopic Mass | 138.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number