| CAS Number | 155061-61-3 |
| Catalog Number | AG001NLI(AGN-PC-0BHVUW) |
| Chemical Name | Ethyl 4-(3-methoxyphenyl)benzoate |
| IUPAC Name | ethyl 4-(3-methoxyphenyl)benzoate |
| InChI | InChI=1S/C16H16O3/c1-3-19-16(17)13-9-7-12(8-10-13)14-5-4-6-15(11-14)18-2/h4-11H,3H2,1-2H3 |
| InChI Key | YOXRLOGPAMRGJZ-UHFFFAOYSA-N |
| MDL Number | MFCD21332982 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | CCOC(=O)c1ccc(cc1)c1cccc(c1)OC |
| Synonyms | Ethyl 4-(3-methoxyphenyl)benzoate,
155061-61-3,
ACMC-209dbx,
SCHEMBL5943816,
CTK8B0875,
DTXSID60720237,
ANW-21547,
MFCD21332982,
ZINC80175091,
AKOS026673486,
CJ-21980,
TC-110292,
B-8546,
3'-Methoxybiphenyl-4-carboxylic acid ethyl ester,
Ethyl 3'-methoxy[1,1'-biphenyl]-4-carboxylate,
[1,1'-Biphenyl]-4-carboxylic acid, 3'-methoxy-, ethyl ester,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number