| CAS Number | 171905-91-2 |
| Catalog Number | AG007W9Z(AGN-PC-0Q9ZIL) |
| Chemical Name | 2-(3-Methoxycarbonylphenyl)benzoic acid |
| IUPAC Name | 2-(3-methoxycarbonylphenyl)benzoic acid |
| InChI | InChI=1S/C15H12O4/c1-19-15(18)11-6-4-5-10(9-11)12-7-2-3-8-13(12)14(16)17/h2-9H,1H3,(H,16,17) |
| InChI Key | WAFGUHOIRJDARG-UHFFFAOYSA-N |
| MDL Number | MFCD06203602 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| SMILES | COC(=O)c1cccc(c1)c1ccccc1C(=O)O |
| Synonyms | 171905-91-2,
2-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID,
Methyl 3-(2-carboxyphenyl)benzoate,
[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 3'-methyl ester,
CTK4D4083,
DTXSID40683316,
MFCD06203602,
ZINC44199439,
3'-(methoxycarbonyl)-biphenyl-2-carboxylic acid,
3'-(Methoxycarbonyl)[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.257g/mol |
| Monoisotopic Mass | 256.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number