| CAS Number | 65712-73-4 |
| Catalog Number | AG006P5Y(AGN-PC-0KN8L2) |
| Chemical Name | 2-Butoxy-3-methoxybenzaldehyde |
| IUPAC Name | 2-butoxy-3-methoxybenzaldehyde |
| InChI | InChI=1S/C12H16O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h5-7,9H,3-4,8H2,1-2H3 |
| InChI Key | KFSWONZYRSVJJQ-UHFFFAOYSA-N |
| MDL Number | MFCD07358568 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | C1(OCCCC)=C(C=CC=C1C=O)OC |
| Synonyms | 2-butoxy-3-methoxybenzaldehyde,
65712-73-4,
KFSWONZYRSVJJQ-UHFFFAOYSA-N,
AC1MHAZF,
SCHEMBL636533,
2-butoxy-3-methoxy-benzaldehyde,
CTK5C3026,
DTXSID90388046,
CHEMBRDG-BB 7958793,
ZINC4825438,
ZX-CM017566,
MFCD07358568,
AKOS005063155,
MCULE-2567043553,
AJ-52399,
2-Hydroxy-3-methoxybenzaldehyde, butyl ether,
Y-2781,
2-n-Butoxy-3-methoxybenzaldehyde,
ZINC04825438,
CID2974241,
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| Complexity | 182 |
| 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 | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number