| CAS Number | 1482580-51-7 |
| Catalog Number | AG01EK2L |
| Chemical Name | methyl 3-(2-methoxyphenyl)-3-methyloxirane-2-carboxylate |
| IUPAC Name | methyl 3-(2-methoxyphenyl)-3-methyloxirane-2-carboxylate |
| InChI | InChI=1S/C12H14O4/c1-12(10(16-12)11(13)15-3)8-6-4-5-7-9(8)14-2/h4-7,10H,1-3H3 |
| InChI Key | VLYREJMJQZGCTP-UHFFFAOYSA-N |
| MDL Number | MFCD21321554 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | COC(C1C(C2=C(OC)C=CC=C2)(C)O1)=O |
| Synonyms | AKOS015259645,
methyl 3-(2-methoxyphenyl)-3-methyloxirane-2-carboxylate, Mixture of diastereomers,
1482580-51-7,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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