| CAS Number | 73742-04-8 |
| Catalog Number | AG01B77O |
| Chemical Name | 2-Benzylcyclopentane-1-carboxylic acid |
| IUPAC Name | 2-benzylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C13H16O2/c14-13(15)12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,14,15) |
| InChI Key | HMZNQCDCGOOMDO-UHFFFAOYSA-N |
| MDL Number | MFCD24025156 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | OC(C1C(CC2=CC=CC=C2)CCC1)=O |
| Synonyms | 2-benzylcyclopentane-1-carboxylic acid,
2-Benzylcyclopentanecarboxylic acid,
73742-04-8,
AC1LBP4L,
HMZNQCDCGOOMDO-UHFFFAOYSA-N,
AKOS019577332,
Z2588063838,
CID561835,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number