| CAS Number | 13694-31-0 |
| Catalog Number | AG019RS9(AGN-PC-07C6U3) |
| Chemical Name | 2-Benzylcyclopentan-1-ol |
| IUPAC Name | 2-benzylcyclopentan-1-ol |
| InChI | InChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2 |
| InChI Key | OWWHRTUEIUFQKM-UHFFFAOYSA-N |
| MDL Number | MFCD16155204 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | OC1C(CC2=CC=CC=C2)CCC1 |
| Synonyms | 2-benzylcyclopentan-1-ol,
13694-31-0,
2-Benzylcyclopentanol,
SCHEMBL16766407,
AKOS011019783,
MCULE-8326002477,
NE48809,
EN300-90321,
F8881-1195,
Z1262395898,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.259g/mol |
| Monoisotopic Mass | 176.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number