| CAS Number | 24083-09-8 |
| Catalog Number | AG01A7ZF(AGN-PC-0N8PRU) |
| Chemical Name | 3-(Hexyloxy)benzaldehyde |
| IUPAC Name | 3-hexoxybenzaldehyde |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-5-9-15-13-8-6-7-12(10-13)11-14/h6-8,10-11H,2-5,9H2,1H3 |
| InChI Key | DUKQOJQWLCELHT-UHFFFAOYSA-N |
| MDL Number | MFCD09711652 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | CCCCCCOC1=CC(C=O)=CC=C1 |
| Synonyms | 3-(hexyloxy)benzaldehyde,
24083-09-8,
AC1Q2WGC,
Benzaldehyde, 3-(hexyloxy)-,
SCHEMBL6289516,
CTK0J5241,
DTXSID20443399,
ZINC11884345,
3-(hexyloxy)benzaldehyde, AldrichCPR,
AKOS005290970,
NE27839,
EN300-60263,
3-hexoxybenzaldehyde,
CID10679799,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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