| CAS Number | 893723-95-0 |
| Catalog Number | AG003X45(AGN-PC-0WB3RR) |
| Chemical Name | 4-(3,4-Dimethylphenoxy)benzaldehyde |
| IUPAC Name | 4-(3,4-dimethylphenoxy)benzaldehyde |
| InChI | InChI=1S/C15H14O2/c1-11-3-6-15(9-12(11)2)17-14-7-4-13(10-16)5-8-14/h3-10H,1-2H3 |
| InChI Key | LVEQYFHOJSJFCJ-UHFFFAOYSA-N |
| MDL Number | MFCD06496534 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | CC=1C=C(OC2=CC=C(C=O)C=C2)C=CC1C |
| Synonyms | 4-(3,4-dimethylphenoxy)benzaldehyde,
893723-95-0,
AC1NHFCO,
SCHEMBL13220942,
CTK5G2958,
DTXSID30406273,
ZINC8550738,
ZX-CM005278,
MFCD06496534,
AKOS002664745,
AJ-57616,
Benzaldehyde, 4-(3,4-dimethylphenoxy)-,
BC4164663,
Y-2271,
4- benzaldehyde,
CID4739208,
|
| Complexity | 243 |
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number