| CAS Number | 893737-17-2 |
| Catalog Number | AG003WXW(AGN-PC-02MGCP) |
| Chemical Name | 4-(2-Acetylphenyl)benzoic acid |
| IUPAC Name | 4-(2-acetylphenyl)benzoic acid |
| InChI | InChI=1S/C15H12O3/c1-10(16)13-4-2-3-5-14(13)11-6-8-12(9-7-11)15(17)18/h2-9H,1H3,(H,17,18) |
| InChI Key | UQNRQOGHZCOKNV-UHFFFAOYSA-N |
| MDL Number | MFCD06802327 |
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.2540 |
| SMILES | C1(C=CC=CC=1C1C=CC(=CC=1)C(O)=O)C(C)=O |
| Synonyms | 4-(2-Acetylphenyl)benzoic acid,
893737-17-2,
2'-Acetyl[1,1'-biphenyl]-4-carboxylic acid,
2'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209r0j,
SCHEMBL3104358,
CTK8B2622,
DTXSID60602463,
UQNRQOGHZCOKNV-UHFFFAOYSA-N,
ANW-39281,
MFCD06802327,
ZINC16947026,
2'-Acetyl-biphenyl-4-carboxylic acid,
AKOS004116201,
AJ-69719,
TC-128026,
BB 0223392,
I01-11290,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.258g/mol |
| Monoisotopic Mass | 240.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number