| CAS Number | 80407-63-2 |
| Catalog Number | AG01A871(AGN-PC-0N94ZL) |
| Chemical Name | 3-(Heptyloxy)benzaldehyde |
| IUPAC Name | 3-heptoxybenzaldehyde |
| InChI | InChI=1S/C14H20O2/c1-2-3-4-5-6-10-16-14-9-7-8-13(11-14)12-15/h7-9,11-12H,2-6,10H2,1H3 |
| InChI Key | KROMBKWOHQBNBR-UHFFFAOYSA-N |
| MDL Number | MFCD11174912 |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.3074 |
| SMILES | CCCCCCCOC1=CC(C=O)=CC=C1 |
| Synonyms | 3-(heptyloxy)benzaldehyde,
80407-63-2,
AC1Q2WD9,
CTK6E0982,
3-(heptyloxy)benzaldehyde, AldrichCPR,
AKOS005290971,
ZINC100020699,
NE19018,
EN300-60885,
3-heptoxybenzaldehyde,
CID10704173,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.312g/mol |
| Monoisotopic Mass | 220.146g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number