| CAS Number | 1057670-88-8 |
| Catalog Number | AG01AD7Q(AGN-PC-0WO1N0) |
| Chemical Name | 3-(2,3-Dihydro-1-benzofuran-5-yl)propanal |
| IUPAC Name | 3-(2,3-dihydro-1-benzofuran-5-yl)propanal |
| InChI | InChI=1S/C11H12O2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h3-4,6,8H,1-2,5,7H2 |
| InChI Key | YEKHOGAHZACYAD-UHFFFAOYSA-N |
| MDL Number | MFCD09028563 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=CCCC1=CC2=C(OCC2)C=C1 |
| Synonyms | 3-(2,3-DIHYDRO-1-BENZOFURAN-5-YL)PROPANAL,
1057670-88-8,
SCHEMBL10053022,
ZINC88278180,
AKOS006229531,
NE27181,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number