| CAS Number | 34906-84-8 |
| Catalog Number | AG007H44(AGN-PC-0WCD6I) |
| Chemical Name | Ethyl 4-isopropylbenzoylformate |
| IUPAC Name | ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate |
| InChI | InChI=1S/C13H16O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3 |
| InChI Key | CGCCWTUTQYRMIO-UHFFFAOYSA-N |
| MDL Number | MFCD06201711 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | CCOC(=O)C(=O)c1ccc(cc1)C(C)C |
| Synonyms | 34906-84-8,
ethyl 4-isopropylbenzoylformate,
Ethyl 4-iso-propylbenzoylformate,
ethyl 2-(4-isopropylphenyl)-2-oxoacetate,
AC1MBZ3D,
SCHEMBL2124530,
CTK4H3221,
DTXSID30374529,
ZINC4255782,
AKOS010879709,
FS-5076,
ACM34906848,
DA-06561,
ethyl 4-iso-propylbenzoylformate, AldrichCPR,
FT-0760312,
(4-isopropylphenyl)oxoacetic acid ethyl ester,
ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate,
ZINC04255782,
ETHYL4-ISO-PROPYLBENZOYLFORMATE,
CID2758859,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/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
Lot Number