| CAS Number | 201851-05-0 |
| Catalog Number | AG01B3ZJ(AGN-PC-0N9XA5) |
| Chemical Name | 3-Cyclopentylbenzaldehyde |
| IUPAC Name | 3-cyclopentylbenzaldehyde |
| InChI | InChI=1S/C12H14O/c13-9-10-4-3-7-12(8-10)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2 |
| InChI Key | RXDIRVUNKJIMCU-UHFFFAOYSA-N |
| MDL Number | MFCD22418481 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | C1(CCCC1)C=1C=C(C=O)C=CC1 |
| Synonyms | 3-cyclopentylbenzaldehyde,
201851-05-0,
Benzaldehyde, 3-cyclopentyl-,
SCHEMBL3437970,
RXDIRVUNKJIMCU-UHFFFAOYSA-N,
ZINC107164208,
CID10749755,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number