| CAS Number | 915185-89-6 |
| Catalog Number | AG00GRCY |
| Chemical Name | 3,3-Dichlorocyclobutane-1-carboxylic acid |
| IUPAC Name | 3,3-dichlorocyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C5H6Cl2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9) |
| InChI Key | KOSPRUCYJNWOHU-UHFFFAOYSA-N |
| MDL Number | MFCD08705858 |
| Molecular Formula | C5H6Cl2O2 |
| Molecular Weight | 169.0059 |
| SMILES | OC(C1CC(Cl)(Cl)C1)=O |
| Synonyms | 3,3-DICHLOROCYCLOBUTANECARBOXYLIC ACID,
915185-89-6,
3,3-dichlorocyclobutane-1-carboxylic acid,
DTXSID10702164,
CD0094,
AKOS006291046,
ZINC104401056,
DB-079059,
FT-0758520,
W-4197,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.001g/mol |
| Monoisotopic Mass | 167.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number