| CAS Number | 24021-44-1 |
| Catalog Number | AG00C2ON(AGN-PC-0N7X7A) |
| Chemical Name | Desmethyl Ketoprofen Methyl Ester |
| IUPAC Name | methyl 2-(3-benzoylphenyl)acetate |
| InChI | InChI=1S/C16H14O3/c1-19-15(17)11-12-6-5-9-14(10-12)16(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChI Key | QTXILVCSTXQKLF-UHFFFAOYSA-N |
| MDL Number | MFCD18252454 |
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.2806 |
| SMILES | COC(=O)Cc1cccc(c1)C(=O)c2ccccc2 |
| Synonyms | Desmethyl Ketoprofen Methyl Ester,
24021-44-1,
Methyl (3-Benzoylphenyl)acetate,
Benzeneacetic acid,3-benzoyl-, methyl ester,
methyl m-benzoyl-phenyl-acetate,
SCHEMBL6115593,
CTK4F2772,
DTXSID70442832,
QTXILVCSTXQKLF-UHFFFAOYSA-N,
ZINC39122579,
AKOS030240613,
ACM24021441,
(m-Benzoylphenyl)acetic Acid Methyl Ester,
3-Benzoyl-benzeneacetic Acid Methyl Ester,
FT-0666142,
J-015316,
DesmethylKetoprofenMethylEster,
Methyl 2-(3-benzoylphenyl)acetate,
CID10634678,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.285g/mol |
| Monoisotopic Mass | 254.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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