| CAS Number | 85163-16-2 |
| Catalog Number | AG00IDK9(AGN-PC-001AVH) |
| Chemical Name | 3-Benzylcyclopentan-1-one |
| IUPAC Name | 3-benzylcyclopentan-1-one |
| InChI | InChI=1S/C12H14O/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChI Key | NCQWDCHWURQUQD-UHFFFAOYSA-N |
| MDL Number | MFCD20149328 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | O=C1CC(CC2=CC=CC=C2)CC1 |
| Synonyms | 3-benzylcyclopentanone,
85163-16-2,
3-benzylcyclopentan-1-one,
3-benzyl-cyclopentan-1-one,
SCHEMBL4865573,
NCQWDCHWURQUQD-UHFFFAOYSA-N,
Cyclopentanone, 3-(phenylmethyl)-,
AKOS013846187,
NE23864,
AS-32900,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104465g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.24g/mol |
| Monoisotopic Mass | 174.104465g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number