| CAS Number | 2044702-44-3 |
| Catalog Number | AG00IKE2(AGN-PC-0WGGP6) |
| Chemical Name | [1,1'-Biphenyl]-4-methanol, 2'-methyl-, 4-acetate |
| IUPAC Name | [4-(2-methylphenyl)phenyl]methyl acetate |
| InChI | InChI=1S/C16H16O2/c1-12-5-3-4-6-16(12)15-9-7-14(8-10-15)11-18-13(2)17/h3-10H,11H2,1-2H3 |
| InChI Key | RIKOWCURBLYPNQ-UHFFFAOYSA-N |
| MDL Number | MFCD30541532 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.2970 |
| SMILES | CC1=CC=CC=C1C2=CC=C(COC(C)=O)C=C2 |
| Synonyms | AKOS030528588,
[1,1'-Biphenyl]-4-methanol, 2'-methyl-, 4-acetate,
2044702-44-3,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.302g/mol |
| Monoisotopic Mass | 240.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number