| CAS Number | 355374-47-9 |
| Catalog Number | AG01C2H2(AGN-PC-0NHL4S) |
| Chemical Name | 2-Methoxy-5-(2-methylphenyl)benzaldehyde |
| IUPAC Name | 2-methoxy-5-(2-methylphenyl)benzaldehyde |
| InChI | InChI=1S/C15H14O2/c1-11-5-3-4-6-14(11)12-7-8-15(17-2)13(9-12)10-16/h3-10H,1-2H3 |
| InChI Key | CIEXYGWQXNHNKJ-UHFFFAOYSA-N |
| MDL Number | MFCD12859913 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | COC1=C(C=O)C=C(C2=C(C)C=CC=C2)C=C1 |
| Synonyms | 2-methoxy-5-(2-methylphenyl)benzaldehyde,
355374-47-9,
SCHEMBL7936530,
CIEXYGWQXNHNKJ-UHFFFAOYSA-N,
ZINC38069639,
AKOS005821111,
4-methoxy-2'-methylbiphenyl-3-carbaldehyde,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.275g/mol |
| Monoisotopic Mass | 226.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number