| CAS Number | 29540-54-3 |
| Catalog Number | AG002YP8(AGN-PC-05X0TF) |
| Chemical Name | Methyl 2-methyl-3-oxo-3-phenylpropanoate |
| IUPAC Name | methyl 2-methyl-3-oxo-3-phenylpropanoate |
| InChI | InChI=1S/C11H12O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChI Key | ZYGFNEGLHJHNOK-UHFFFAOYSA-N |
| MDL Number | MFCD00956709 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | COC(C(C(C1=CC=CC=C1)=O)C)=O |
| Synonyms | methyl 2-methyl-3-oxo-3-phenylpropanoate,
29540-54-3,
methyl benzoylpropionate,
AC1N75VF,
SCHEMBL7735376,
2-Benzoylpropanoic acid methyl ester,
AKOS010951710,
MCULE-5076789081,
NE11742,
SY025988,
MFCD00956709 (95%),
2-methyl-3-oxo-3-phenyl-propionic acid methyl ester,
Z1695926176,
benzenepropanoic acid, alpha-methyl-beta-oxo-, methyl ester,
CID4272192,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number