| CAS Number | 104174-29-0 |
| Catalog Number | AG01F6CH(AGN-PC-0JT76V) |
| Chemical Name | 4-(1-Methylpropoxy)benzaldehyde |
| IUPAC Name | 4-butan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-9H,3H2,1-2H3 |
| InChI Key | XQCGUGAYXITWSF-UHFFFAOYSA-N |
| MDL Number | MFCD02629648 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CC(CC)OC1=CC=C(C=O)C=C1 |
| Synonyms | 4-(Butan-2-yloxy)benzaldehyde,
4-Sec-butoxybenzaldehyde,
104174-29-0,
4-(1-Methylpropoxy)benzaldehyde,
4-Sec-butoxybenzaldehyde #,
AC1LB8M1,
4-butan-2-yloxybenzaldehyde,
4-(But-2-oxy)benzaldehyde,
SCHEMBL16353393,
CTK6C9657,
DTXSID70342065,
XQCGUGAYXITWSF-UHFFFAOYSA-N,
AKOS003220716,
AKOS017269703,
CID578344,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number