| CAS Number | 161767-56-2 |
| Catalog Number | AG00AD8I(AGN-PC-0MVPZH) |
| Chemical Name | 3-Trimethylstannyl Benzoic Acid |
| IUPAC Name | 3-trimethylstannylbenzoic acid |
| InChI | InChI=1S/C7H5O2.3CH3.Sn/c8-7(9)6-4-2-1-3-5-6;;;;/h1-2,4-5H,(H,8,9);3*1H3; |
| InChI Key | MLKYWECXFLBPGE-UHFFFAOYSA-N |
| MDL Number | MFCD09841396 |
| Molecular Formula | C10H14O2Sn |
| Molecular Weight | 284.9180 |
| SMILES | C[Sn](C)(C)c1cccc(c1)C(=O)O |
| Synonyms | 3-TRIMETHYLSTANNYL BENZOIC ACID,
161767-56-2,
SCHEMBL334521,
3-Trimethylstannyl-benzoic acid,
CTK7I8594,
3-(Trimethylstannyl)benzoic Acid,
DTXSID90432876,
3-(trimethylstannyl)-benzoic acid,
MLKYWECXFLBPGE-UHFFFAOYSA-N,
ZINC195939545,
RT-008900,
FT-0675645,
3-trimethylstannylbenzoic Acid,
CID9921898,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.93g/mol |
| Monoisotopic Mass | 286.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number