| CAS Number | 627906-50-7 |
| Catalog Number | AG00EKOS(AGN-PC-03T29N) |
| Chemical Name | 4-(3-Methoxycarbonylphenyl)-2-methylphenol |
| IUPAC Name | methyl 3-(4-hydroxy-3-methylphenyl)benzoate |
| InChI | InChI=1S/C15H14O3/c1-10-8-12(6-7-14(10)16)11-4-3-5-13(9-11)15(17)18-2/h3-9,16H,1-2H3 |
| InChI Key | UWGVZGKYHWFZON-UHFFFAOYSA-N |
| MDL Number | MFCD18313319 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COC(=O)c1cccc(c1)c1ccc(c(c1)C)O |
| Synonyms | 4-(3-METHOXYCARBONYLPHENYL)-2-METHYLPHENOL,
627906-50-7,
SCHEMBL4701077,
DTXSID00627337,
UWGVZGKYHWFZON-UHFFFAOYSA-N,
MFCD18313319,
ZINC65340462,
CJ-21108,
Methyl 4'-hydroxy-3'-methyl[1,1'-biphenyl]-3-carboxylate,
methyl 4'-hydroxy-3'-methyl-[1,1'-biphenyl]-3-carboxylate,
methyl 3-(4-hydroxy-3-methylphenyl)benzoate,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number