| CAS Number | 209256-56-4 |
| Catalog Number | AG00IL8S(AGN-PC-0WRAHI) |
| Chemical Name | 2,2-dimethyl-2,3-dihydro-1-benzofuran-4-carbaldehyde |
| IUPAC Name | 2,2-dimethyl-3H-1-benzofuran-4-carbaldehyde |
| InChI | InChI=1S/C11H12O2/c1-11(2)6-9-8(7-12)4-3-5-10(9)13-11/h3-5,7H,6H2,1-2H3 |
| InChI Key | LUWDDBYJLRTYOB-UHFFFAOYSA-N |
| MDL Number | MFCD24676063 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CC1(OC2=CC=CC(C=O)=C2C1)C |
| Synonyms | 209256-56-4,
2,2-dimethyl-2,3-dihydro-1-benzofuran-4-carbaldehyde,
2,2-Dimethyl-2,3-dihydrobenzofuran-4-carbaldehyde,
SCHEMBL4230548,
LUWDDBYJLRTYOB-UHFFFAOYSA-N,
CS-0030336,
2,2-Dimethyl-2,3-dihydro-benzofuran-4-carboxaldehyde,
2,2-Dimethyl-2,3-dihydrobenzofuran-4-carboxaldehyde,
4-Benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl-,
|
| Complexity | 210 |
| 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 | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number