| CAS Number | 133151-37-8 |
| Catalog Number | AG00HSSS(AGN-PC-0O13B8) |
| Chemical Name | (4'-Methyl-[1,1'-biphenyl]-4-yl)methyl acetate |
| IUPAC Name | [4-(4-methylphenyl)phenyl]methyl acetate |
| InChI | InChI=1S/C16H16O2/c1-12-3-7-15(8-4-12)16-9-5-14(6-10-16)11-18-13(2)17/h3-10H,11H2,1-2H3 |
| InChI Key | MJZDHWXNYXSGCN-UHFFFAOYSA-N |
| MDL Number | MFCD28962955 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.2970 |
| SMILES | O=C(OCC2(=CC=C(C1(=CC=C(C)C=C1))C=C2))C |
| Synonyms | 133151-37-8,
(4'-Methyl-[1,1'-biphenyl]-4-yl)methyl acetate,
[4-(4-methylphenyl)phenyl]methyl acetate,
{4'-methyl-[1,1'-biphenyl]-4-yl}methyl acetate,
SCHEMBL9686517,
KS-000022PU,
MFCD28962955,
ZINC34365019,
AKOS026674459,
AS-3221,
|
| Complexity | 258 |
| 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