| CAS Number | 400750-70-1 |
| Catalog Number | AG01EVTM(AGN-PC-3H481J) |
| Chemical Name | 3'-Acetyl-[1,1'-biphenyl]-4-carbaldehyde |
| IUPAC Name | 4-(3-acetylphenyl)benzaldehyde |
| InChI | InChI=1S/C15H12O2/c1-11(17)14-3-2-4-15(9-14)13-7-5-12(10-16)6-8-13/h2-10H,1H3 |
| InChI Key | IMQNXEJDOTXIIK-UHFFFAOYSA-N |
| MDL Number | MFCD03424614 |
| Molecular Formula | C15H12O2 |
| Molecular Weight | 224.2546 |
| SMILES | C1(=CC=CC(C(=O)C)=C1)C1=CC=C(C=O)C=C1 |
| Synonyms | 400750-70-1,
3'-acetyl[1,1'-biphenyl]-4-carbaldehyde,
4-(3-acetylphenyl)benzaldehyde,
3'-acetyl-biphenyl-4-carbaldehyde,
3'-Acetyl-biphenyl-4-carboxaldehyde,
3'-Acetyl-[1,1'-biphenyl]-4-carbaldehyde,
3'-acetyl[1,1'-biphenyl]-4-carboxaldehyde,
AC1MBT65,
CTK7H9381,
3'-acetylbiphenyl-4-carbaldehyde,
ZINC2574080,
ZX-AT011037,
MFCD03424614,
OR7308,
AKOS004113892,
BB 0222565,
ZINC02574080,
CID2756264,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.259g/mol |
| Monoisotopic Mass | 224.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number