| CAS Number | 765937-65-3 |
| Catalog Number | AG00GQLX(AGN-PC-06H9WL) |
| Chemical Name | 5-(4-Ethylphenyl)furan-2-carbaldehyde |
| IUPAC Name | 5-(4-ethylphenyl)furan-2-carbaldehyde |
| InChI | InChI=1S/C13H12O2/c1-2-10-3-5-11(6-4-10)13-8-7-12(9-14)15-13/h3-9H,2H2,1H3 |
| InChI Key | ZQSJYWFJKGXZIL-UHFFFAOYSA-N |
| MDL Number | MFCD07380716 |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.2332 |
| SMILES | CCC1=CC=C(C2OC(C=O)=CC=2)C=C1 |
| Synonyms | 5-(4-ethylphenyl)furan-2-carbaldehyde,
765937-65-3,
SCHEMBL3023677,
ZINC34975300,
AKOS002680364,
NE44490,
2-Furancarboxaldehyde,5-(4-ethylphenyl)-(9CI),
2-Furancarboxaldehyde, 5-(4-ethylphenyl)- (9CI),
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.237g/mol |
| Monoisotopic Mass | 200.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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