| CAS Number | 885532-19-4 |
| Catalog Number | AG00IF79 |
| Chemical Name | 2-methyl-5-propoxy-2,3-dihydro-1-benzofuran-6-carbaldehyde |
| IUPAC Name | 2-methyl-5-propoxy-2,3-dihydro-1-benzofuran-6-carbaldehyde |
| InChI | InChI=1S/C13H16O3/c1-3-4-15-12-6-10-5-9(2)16-13(10)7-11(12)8-14/h6-9H,3-5H2,1-2H3 |
| InChI Key | KVKAGKNBCAFUSQ-UHFFFAOYSA-N |
| MDL Number | MFCD08444530 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | CCCOC1=C(C=O)C=C2C(CC(O2)C)=C1 |
| Synonyms | 2-methyl-5-propoxy-2,3-dihydro-1-benzofuran-6-carbaldehyde,
885532-19-4,
AC1Q2YBC,
CTK6E5835,
MFCD08444530,
AKOS009115061,
MCULE-7924530330,
NE62621,
EN300-35467,
2-methyl-5-propoxy-2,3-dihydrobenzofuran-6-carbaldehyde,
2-methyl-5-propoxy-2,3-dihydro-1-benzofuran-6-carbaldehyde, AldrichCPR,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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