| CAS Number | 343319-07-3 |
| Catalog Number | AG007G69(AGN-PC-0R9QE1) |
| Chemical Name | 6-(4-Fluorophenyl)-6-oxohexanoic acid |
| IUPAC Name | 6-(4-fluorophenyl)-6-oxohexanoic acid |
| InChI | InChI=1S/C12H13FO3/c13-10-7-5-9(6-8-10)11(14)3-1-2-4-12(15)16/h5-8H,1-4H2,(H,15,16) |
| InChI Key | BCUYYQNETZAUOP-UHFFFAOYSA-N |
| MDL Number | MFCD01311599 |
| Molecular Formula | C12H13FO3 |
| Molecular Weight | 224.2282 |
| SMILES | OC(CCCCC(C1=CC=C(F)C=C1)=O)=O |
| Synonyms | 6-(4-FLUOROPHENYL)-6-OXOHEXANOIC ACID,
343319-07-3,
5-(4-fluorobenzoyl)valeric acid,
SCHEMBL3866967,
CTK4H2161,
DTXSID60502116,
ZINC2242949,
0943AE,
MFCD01311599,
AKOS009481322,
MCULE-3869265721,
NE45320,
Z1742055066,
C12H13FO3,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.231g/mol |
| Monoisotopic Mass | 224.085g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number