| CAS Number | 2044796-35-0 |
| Catalog Number | AG01BUSR |
| Chemical Name | 4-chloro-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid |
| IUPAC Name | 4-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid |
| InChI | InChI=1S/C11H9ClO2/c12-6-1-2-7-5(3-6)4-8-9(7)10(8)11(13)14/h1-3,8-10H,4H2,(H,13,14) |
| InChI Key | QCHGODCFACBXAX-UHFFFAOYSA-N |
| MDL Number | MFCD30487483 |
| Molecular Formula | C11H9ClO2 |
| Molecular Weight | 208.6410 |
| SMILES | OC(C1C2C1CC1=C2C=CC(Cl)=C1)=O |
| Synonyms | 4-chloro-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid,
2044796-35-0,
AKOS033982882,
Z2692093669,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.641g/mol |
| Monoisotopic Mass | 208.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number