| CAS Number | 1365272-23-6 |
| Catalog Number | AG0011ZC(AGN-PC-01XBL4) |
| Chemical Name | 3-[3-(Carboxymethyl)phenyl]benzoic acid |
| IUPAC Name | 3-[3-(carboxymethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C15H12O4/c16-14(17)8-10-3-1-4-11(7-10)12-5-2-6-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19) |
| InChI Key | VRQGZJATEFPTFZ-UHFFFAOYSA-N |
| MDL Number | MFCD21609594 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| SMILES | OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)O |
| Synonyms | 3-[3-(Carboxymethyl)phenyl]benzoic acid,
1365272-23-6,
ACMC-209c7n,
CTK8B0530,
DTXSID30594346,
ANW-20097,
MFCD21609594,
ZINC85477060,
TC-108842,
B-8585,
[1,1'-Biphenyl]-3-acetic acid, 3'-carboxy-,
3'-(Carboxymethyl)[1,1'-biphenyl]-3-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 | 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 | 2.8 |
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Certificate of Analysis
Lot Number