| CAS Number | 156744-09-1 |
| Catalog Number | AG001OYM(AGN-PC-0KFTQ5) |
| Chemical Name | 2,4-dipropoxybenzaldehyde |
| IUPAC Name | 2,4-dipropoxybenzaldehyde |
| InChI | InChI=1S/C13H18O3/c1-3-7-15-12-6-5-11(10-14)13(9-12)16-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3 |
| InChI Key | MVOWILXGBBQBMR-UHFFFAOYSA-N |
| MDL Number | MFCD02647349 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CCCOC1=CC(OCCC)=C(C=O)C=C1 |
| Synonyms | 2,4-dipropoxybenzaldehyde,
2,4-Dipropoxy-benzaldehyde,
156744-09-1,
Benzaldehyde, 2,4-dipropoxy-,
AC1Q2YFV,
AC1M6E77,
SCHEMBL5449064,
CTK0E7423,
DTXSID90368484,
ZINC3281072,
AKOS000115386,
MCULE-6159976973,
NE28673,
ST51045536,
EN300-01036,
ZINC03281072,
CID2396528,
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| Complexity | 194 |
| 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 | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number