| CAS Number | 120958-27-2 |
| Catalog Number | AG01BUX7 |
| Chemical Name | ethyl 2-methyl-3-(2-methylphenyl)propanoate |
| IUPAC Name | ethyl 2-methyl-3-(2-methylphenyl)propanoate |
| InChI | InChI=1S/C13H18O2/c1-4-15-13(14)11(3)9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3 |
| InChI Key | VAYZZMQSAPAGNY-UHFFFAOYSA-N |
| MDL Number | MFCD30295388 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | CCOC(C(CC1=C(C)C=CC=C1)C)=O |
| Synonyms | ethyl 2-methyl-3-(2-methylphenyl)propanoate,
120958-27-2,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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