| CAS Number | 72224-25-0 |
| Catalog Number | AG01ALR4 |
| Chemical Name | 4-(2-Oxiranylmethoxy)benzeneacetic acid |
| IUPAC Name | 2-[4-(oxiran-2-ylmethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C11H12O4/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H,12,13) |
| InChI Key | PAYGWDOCZMSKLL-UHFFFAOYSA-N |
| MDL Number | MFCD24498016 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | c1cc(ccc1CC(=O)O)OCC2CO2 |
| Synonyms | 72224-25-0,
4-(2,3-Epoxypropoxy)phenylacetic Acid,
2-(4-(oxiran-2-ylmethoxy)phenyl)acetic acid,
2-[4-(oxiran-2-ylmethoxy)phenyl]acetic acid,
SCHEMBL9628741,
2-{4-[(oxiran-2-yl)methoxy]phenyl}acetic acid,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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