| CAS Number | 875306-94-8 |
| Catalog Number | AG00IEO3(AGN-PC-0BOUW0) |
| Chemical Name | 4-Cyclobutylbenzaldehyde |
| IUPAC Name | 4-cyclobutylbenzaldehyde |
| InChI | InChI=1S/C11H12O/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-8,10H,1-3H2 |
| InChI Key | UBLPGLPKDLRMKI-UHFFFAOYSA-N |
| MDL Number | MFCD19440003 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | C1(CCC1)C1=CC=C(C=O)C=C1 |
| Synonyms | 4-cyclobutylbenzaldehyde,
875306-94-8,
Benzaldehyde, 4-cyclobutyl-,
4-cyclobutyl-benzaldehyde,
SCHEMBL3243130,
UBLPGLPKDLRMKI-UHFFFAOYSA-N,
MFCD19440003,
ZINC82062679,
AKOS023569675,
NE32795,
AS-32899,
F0001-2524,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number