| CAS Number | 760976-10-1 |
| Catalog Number | AG0057VX(AGN-PC-0KKMMN) |
| Chemical Name | 3',5'-Dimethyl-[1,1'-biphenyl]-4-carbaldehyde |
| IUPAC Name | 4-(3,5-dimethylphenyl)benzaldehyde |
| InChI | InChI=1S/C15H14O/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-10H,1-2H3 |
| InChI Key | DIEZRQJNMZQYGV-UHFFFAOYSA-N |
| MDL Number | MFCD06201225 |
| Molecular Formula | C15H14O |
| Molecular Weight | 210.2711 |
| SMILES | CC1=CC(C2=CC=C(C=O)C=C2)=CC(C)=C1 |
| Synonyms | 4-(3,5-dimethylphenyl)benzaldehyde,
760976-10-1,
[1,1'-Biphenyl]-4-carboxaldehyde,3',5'-dimethyl-,
AC1MBYJ9,
AC1Q2GVP,
SCHEMBL3975070,
CTK5E2467,
DTXSID80374413,
ZINC4204246,
NE17638,
NCGC00373949-01,
EN300-85950,
3',5'-DIMETHYL-[1,1'-BIPHENYL]-4-CARBALDEHYDE,
4- benzaldehyde,
CID2758602,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.276g/mol |
| Monoisotopic Mass | 210.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number