| CAS Number | 73318-92-0 |
| Catalog Number | AG00ITTH(AGN-PC-0LTFAQ) |
| Chemical Name | 2-hydroxy-5-octylbenzenecarbaldehyde |
| IUPAC Name | 2-hydroxy-5-octylbenzaldehyde |
| InChI | InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-10-15(17)14(11-13)12-16/h9-12,17H,2-8H2,1H3 |
| InChI Key | SXIFMUZENYUSFJ-UHFFFAOYSA-N |
| MDL Number | MFCD08281903 |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.334 |
| SMILES | O=CC1(=C(O)C=CC(=C1)CCCCCCCC) |
| Synonyms | 2-hydroxy-5-octylbenzaldehyde,
Benzaldehyde, 2-hydroxy, 5-octyl,
SXIFMUZENYUSFJ-UHFFFAOYSA-N,
73318-92-0,
5-octylsalicylaldehyde,
SCHEMBL305081,
AC1O5906,
KS-000022SH,
AKOS005105803,
ZINC100928809,
BA-0840,
MCULE-6630638936,
CID6429813,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.339g/mol |
| Monoisotopic Mass | 234.162g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number