| CAS Number | 58078-54-9 |
| Catalog Number | AG01E80P(AGN-PC-0OCO02) |
| Chemical Name | methyl (2E)-3-(2,4,6-trimethylphenyl)prop-2-enoate |
| IUPAC Name | methyl 3-(2,4,6-trimethylphenyl)prop-2-enoate |
| InChI | InChI=1S/C13H16O2/c1-9-7-10(2)12(11(3)8-9)5-6-13(14)15-4/h5-8H,1-4H3 |
| InChI Key | KJYFTZVBVMXPFV-UHFFFAOYSA-N |
| MDL Number | MFCD23379779 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | COC(/C=C/C1=C(C)C=C(C)C=C1C)=O |
| Synonyms | 58078-54-9,
CTK1F0591,
DTXSID30852615,
Methyl 3-(2,4,6-trimethylphenyl)prop-2-enoate,
2-Propenoic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester, (2E)-,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number