| CAS Number | 104354-26-9 |
| Catalog Number | AG00861O(AGN-PC-02IP9H) |
| Chemical Name | Ethyl 3-(oxiran-2-ylmethoxy)benzoate |
| IUPAC Name | ethyl 3-(oxiran-2-ylmethoxy)benzoate |
| InChI | InChI=1S/C12H14O4/c1-2-14-12(13)9-4-3-5-10(6-9)15-7-11-8-16-11/h3-6,11H,2,7-8H2,1H3 |
| InChI Key | GJIYIHFVFHIIPI-UHFFFAOYSA-N |
| MDL Number | MFCD10586464 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | CCOC(C1=CC(OCC2OC2)=CC=C1)=O |
| Synonyms | ethyl 3-(oxiran-2-ylmethoxy)benzoate,
104354-26-9,
Benzoic acid, 3-(oxiranylmethoxy)-, ethyl ester,
1-(3-ethoxycarbonyl)phenoxy-2,3-epoxy-propane,
ACMC-20m75e,
AC1Q33ZE,
SCHEMBL8207167,
CTK0D8069,
DTXSID30599316,
AKOS030615843,
MCULE-5385250037,
NE14763,
Ethyl 3-[(oxiran-2-yl)methoxy]benzoate,
EN300-21640,
A1-05344,
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| Complexity | 241 |
| 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 | 6 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number