| CAS Number | 915907-98-1 |
| Catalog Number | AG006GWS(AGN-PC-0WB3R4) |
| Chemical Name | 4-(sec-Butoxy)-3-ethoxybenzaldehyde |
| IUPAC Name | 4-butan-2-yloxy-3-ethoxybenzaldehyde |
| InChI | InChI=1S/C13H18O3/c1-4-10(3)16-12-7-6-11(9-14)8-13(12)15-5-2/h6-10H,4-5H2,1-3H3 |
| InChI Key | YCPXBOGXXIEFIE-UHFFFAOYSA-N |
| MDL Number | MFCD07358565 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | C1(=CC=C(C=C1OCC)C=O)OC(C)CC |
| Synonyms | 915907-98-1,
4-SEC-BUTOXY-3-ETHOXYBENZALDEHYDE,
4-(sec-Butoxy)-3-ethoxybenzaldehyde,
4-butan-2-yloxy-3-ethoxybenzaldehyde,
4-(butan-2-yloxy)-3-ethoxybenzaldehyde,
AC1MHAU4,
CTK5G9858,
DTXSID30388045,
CHEMBRDG-BB 4023269,
ZX-CM005268,
BBL034401,
MFCD07358565,
STL388688,
AKOS000111357,
AKOS017269706,
MCULE-6626258939,
Y-2780,
CHEMBRDG-BB4023269,
ZINC04825332,
CID2974183,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number