| CAS Number | 191284-77-2 |
| Catalog Number | AG01AHPW(AGN-PC-0269DP) |
| Chemical Name | 3-Methyl-4-phenoxybenzaldehyde |
| IUPAC Name | 3-methyl-4-phenoxybenzaldehyde |
| InChI | InChI=1S/C14H12O2/c1-11-9-12(10-15)7-8-14(11)16-13-5-3-2-4-6-13/h2-10H,1H3 |
| InChI Key | KDBKPCXRRZVODH-UHFFFAOYSA-N |
| MDL Number | MFCD16717339 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.2439 |
| SMILES | O=CC1=CC=C(OC2=CC=CC=C2)C(C)=C1 |
| Synonyms | 3-methyl-4-phenoxybenzaldehyde,
191284-77-2,
SCHEMBL8498710,
Benzaldehyde, 3-methyl-4-phenoxy-,
MFCD16717339,
ZINC50545167,
AKOS011401001,
AS-19845,
Z0316,
EN300-75434,
Q-7431,
C14H12O2,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.248g/mol |
| Monoisotopic Mass | 212.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number