| CAS Number | 36099-25-9 |
| Catalog Number | AG01DWDI(AGN-PC-002KRV) |
| Chemical Name | Methyl 4-(oxiran-2-yl)benzoate |
| IUPAC Name | methyl 4-(oxiran-2-yl)benzoate |
| InChI | InChI=1S/C10H10O3/c1-12-10(11)8-4-2-7(3-5-8)9-6-13-9/h2-5,9H,6H2,1H3 |
| InChI Key | KYGSYIMJMQBOIS-UHFFFAOYSA-N |
| MDL Number | MFCD17218333 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | COC(C1=CC=C(C2OC2)C=C1)=O |
| Synonyms | methyl 4-(oxiran-2-yl)benzoate,
36099-25-9,
SCHEMBL2792782,
KYGSYIMJMQBOIS-UHFFFAOYSA-N,
4-Oxiranylbenzoic acid methyl ester,
4-oxiranyl-benzoic acid methyl ester,
(+/-)-4-oxiranyl-benzoic acid methyl ester,
A1-10546,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.062994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.18g/mol |
| Monoisotopic Mass | 178.062994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number