| CAS Number | 40724-03-6 |
| Catalog Number | AG00CKJU(AGN-PC-0N8OZK) |
| Chemical Name | 5-Methylbenzofuran-2-carbaldehyde |
| IUPAC Name | 5-methyl-1-benzofuran-2-carbaldehyde |
| InChI | InChI=1S/C10H8O2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-6H,1H3 |
| InChI Key | WPUWQBYGLWXSRS-UHFFFAOYSA-N |
| MDL Number | MFCD11574552 |
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.1693 |
| SMILES | CC1=CC2=C(OC(=C2)C=O)C=C1 |
| Synonyms | 5-methylbenzofuran-2-carbaldehyde,
40724-03-6,
5-methyl-1-benzofuran-2-carbaldehyde,
2-Benzofurancarboxaldehyde, 5-methyl-,
SCHEMBL1397762,
2-formyl-5-methylbenzo[b]furan,
WPUWQBYGLWXSRS-UHFFFAOYSA-N,
5-methyl-benzofuran-2-carbaldehyde,
ZINC20389938,
AKOS002679795,
MB09963,
NE49807,
2-Benzofurancarboxaldehyde, 5-methyl-,
5-METHYL-2-BENZOFURANCARBOXALDEHYDE,
EN300-77481,
CID10678534,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.172g/mol |
| Monoisotopic Mass | 160.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number