| CAS Number | 722489-38-5 |
| Catalog Number | AG00FBS9(AGN-PC-0WB4L2) |
| Chemical Name | 4-(Sec-butoxy)-3-methoxybenzaldehyde |
| IUPAC Name | 4-butan-2-yloxy-3-methoxybenzaldehyde |
| InChI | InChI=1S/C12H16O3/c1-4-9(2)15-11-6-5-10(8-13)7-12(11)14-3/h5-9H,4H2,1-3H3 |
| InChI Key | HLWKDCMKTGMQNT-UHFFFAOYSA-N |
| MDL Number | MFCD02629662 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | C1(C=CC(=CC=1OC)C=O)OC(C)CC |
| Synonyms | 722489-38-5,
4-SEC-BUTOXY-3-METHOXYBENZALDEHYDE,
CHEMBRDG-BB 6505145,
4-(Sec-butoxy)-3-methoxybenzaldehyde,
4-(butan-2-yloxy)-3-methoxybenzaldehyde,
CTK5D5784,
DTXSID20611394,
ZX-CM016738,
BBL034347,
MFCD02629662,
STL388901,
AKOS000111356,
AKOS017269704,
MCULE-2988643322,
4-[(Butan-2-yl)oxy]-3-methoxybenzaldehyde,
W-9553,
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| 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
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Certificate of Analysis
Lot Number