| CAS Number | 108478-59-7 |
| Catalog Number | AG007UR7(AGN-PC-09NZQR) |
| Chemical Name | 4-(4-Methoxyphenyl)-3-methylbenzoic acid |
| IUPAC Name | 4-(4-methoxyphenyl)-3-methylbenzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-9-12(15(16)17)5-8-14(10)11-3-6-13(18-2)7-4-11/h3-9H,1-2H3,(H,16,17) |
| InChI Key | YOTSVFQKWZCFKL-UHFFFAOYSA-N |
| MDL Number | MFCD18319516 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1ccc(cc1)c1ccc(cc1C)C(=O)O |
| Synonyms | 108478-59-7,
4'-Methoxy-2-methyl-[1,1'-biphenyl]-4-carboxylic acid,
4-(4-METHOXYPHENYL)-3-METHYLBENZOIC ACID,
ACMC-20990e,
SCHEMBL5024584,
CTK8A9190,
DTXSID90689166,
ANW-15948,
MFCD18319516,
ZINC65349977,
ABA-7727195,
AJ-115426,
AX8243300,
TC-104693,
B-6422,
4'-Methoxy-2-methyl[1,1'-biphenyl]-4-carboxylic acid,
4'-Methoxy-2-methyl-[1,1'-biphenyl]-4-carboxylicacid,
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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 | 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