| CAS Number | 4254-17-5 |
| Catalog Number | AG0071VA(AGN-PC-0WNUM5) |
| Chemical Name | 2-Hydroxy-1-(4-methoxyphenyl)-2-phenylethanone |
| IUPAC Name | 2-hydroxy-1-(4-methoxyphenyl)-2-phenylethanone |
| InChI | InChI=1S/C15H14O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10,14,16H,1H3 |
| InChI Key | PVSFIFPJPUEHPO-UHFFFAOYSA-N |
| MDL Number | MFCD00016852 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1ccc(cc1)C(=O)C(c2ccccc2)O |
| Synonyms | 4-METHOXYBENZOIN,
4254-17-5,
2-hydroxy-1-(4-methoxyphenyl)-2-phenylethanone,
2-hydroxy-1-(4-methoxyphenyl)-2-phenyl-ethanone,
NSC26659,
AC1L1GPZ,
AC1Q5EFT,
HDInhib_000076,
SCHEMBL812736,
CTK1D7345,
DTXSID00274406,
PVSFIFPJPUEHPO-UHFFFAOYSA-N,
NSC57856,
NSC-26659,
NSC-57856,
AKOS000365287,
AKOS016038142,
CID3791,
AR-1E2206,
4609-87-4,
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| Complexity | 263 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number