| CAS Number | 2060042-54-6 |
| Catalog Number | AG01C0UD |
| Chemical Name | 3-BROMO-1H,1AH,6H,6AH-CYCLOPROPA[A]INDENE-1-CARBOXYLIC ACID |
| IUPAC Name | 3-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid |
| InChI | InChI=1S/C11H9BrO2/c12-6-2-1-5-3-8-9(7(5)4-6)10(8)11(13)14/h1-2,4,8-10H,3H2,(H,13,14) |
| InChI Key | MHMSPPNJUVPCGT-UHFFFAOYSA-N |
| MDL Number | MFCD30498277 |
| Molecular Formula | C11H9BrO2 |
| Molecular Weight | 253.0920 |
| SMILES | OC(C1C2C1CC1=C2C=C(Br)C=C1)=O |
| Synonyms | 3-bromo-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid,
2060042-54-6,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.095g/mol |
| Monoisotopic Mass | 251.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number