| CAS Number | 872183-67-0 |
| Catalog Number | AG004RPX(AGN-PC-0WB4LP) |
| Chemical Name | 2-sec-butoxy-3-methoxybenzaldehyde |
| IUPAC Name | 2-butan-2-yloxy-3-methoxybenzaldehyde |
| InChI | InChI=1S/C12H16O3/c1-4-9(2)15-12-10(8-13)6-5-7-11(12)14-3/h5-9H,4H2,1-3H3 |
| InChI Key | FHALBHJLYWQNFN-UHFFFAOYSA-N |
| MDL Number | MFCD02629694 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | C1(=C(C=CC=C1C=O)OC)OC(C)CC |
| Synonyms | 2-SEC-BUTOXY-3-METHOXYBENZALDEHYDE,
872183-67-0,
CTK5F8100,
DTXSID00611397,
CHEMBRDG-BB 6562531,
ZX-CM016790,
MFCD02629694,
2-(Sec-butoxy)-3-methoxybenzaldehyde,
AKOS000297315,
AKOS017269847,
2-[(Butan-2-yl)oxy]-3-methoxybenzaldehyde,
W-9556,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number