| CAS Number | 1375068-94-2 |
| Catalog Number | AG009WM3 |
| Chemical Name | 4-[3-(Carboxymethyl)phenyl]benzoic acid |
| IUPAC Name | 4-[3-(carboxymethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C15H12O4/c16-14(17)9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19) |
| InChI Key | VAZPKCNDWBSRHO-UHFFFAOYSA-N |
| MDL Number | MFCD22205781 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)O |
| Synonyms | 4-[3-(Carboxymethyl)phenyl]benzoic acid,
1375068-94-2,
ACMC-209cda,
CTK8B0654,
DTXSID30742986,
ANW-20300,
MFCD22205781,
ZINC85477226,
TC-109045,
B-9538,
3'-(Carboxymethyl)[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 331 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.257g/mol |
| Monoisotopic Mass | 256.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number