| CAS Number | 2015-57-8 |
| Catalog Number | AG01A9S2(AGN-PC-0JSYP1) |
| Chemical Name | 1-benzylcyclopentan-1-ol |
| IUPAC Name | 1-benzylcyclopentan-1-ol |
| InChI | InChI=1S/C12H16O/c13-12(8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2 |
| InChI Key | ZNZISHNDYHTHKL-UHFFFAOYSA-N |
| MDL Number | MFCD01106286 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | OC1(CCCC1)CC1=CC=CC=C1 |
| Synonyms | 1-benzylcyclopentan-1-ol,
1-Benzylcyclopentanol,
2015-57-8,
ZNZISHNDYHTHKL-UHFFFAOYSA-N,
benzylcyclopentanol,
1-Benzylcyclopentanol #,
1-Benzylcyclopentanol-1,
AC1LBU1Q,
AC1Q77XD,
SCHEMBL735823,
CTK7J7772,
ZINC5602888,
AKOS009995966,
MCULE-1984018042,
NE26003,
FT-0762513,
ST51002210,
EN300-65985,
Z1258992664,
CID564242,
73013-83-9,
|
| Complexity | 153 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number