| CAS Number | 478050-19-0 |
| Catalog Number | AG00IYF1(AGN-PC-0WAUOI) |
| Chemical Name | 2-(4-nonylphenoxy)benzenecarbaldehyde |
| IUPAC Name | 2-(4-nonylphenoxy)benzaldehyde |
| InChI | InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-11-19-14-16-21(17-15-19)24-22-13-10-9-12-20(22)18-23/h9-10,12-18H,2-8,11H2,1H3 |
| InChI Key | USKNEHHWGYJIGX-UHFFFAOYSA-N |
| MDL Number | MFCD02082008 |
| Molecular Formula | C22H28O2 |
| Molecular Weight | 324.4565 |
| SMILES | O=CC2(=C(OC1(=CC=C(CCCCCCCCC)C=C1))C=CC=C2) |
| Synonyms | 2-(4-nonylphenoxy)benzenecarbaldehyde,
2-(4-nonylphenoxy)benzaldehyde,
478050-19-0,
AC1MPRRY,
KS-00001XRG,
ZINC2576485,
AKOS005093979,
5P-015,
CID3440159,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.464g/mol |
| Monoisotopic Mass | 324.209g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number