| CAS Number | 85960-55-0 |
| Catalog Number | AG004QC2(AGN-PC-0OK49A) |
| Chemical Name | Oxirane, [2-(phenylmethoxy)ethyl]-, (2S)- |
| EC Number | 617-785-6 |
| IUPAC Name | (2S)-2-(2-phenylmethoxyethyl)oxirane |
| InChI | InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2/t11-/m0/s1 |
| InChI Key | WEEINLJFNLBGTR-NSHDSACASA-N |
| MDL Number | MFCD27930213 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | [C@@H]1(CCOCC2=CC=CC=C2)OC1 |
| Synonyms | CMLDBU00003549,
85960-55-0,
Oxirane, [2-(phenylmethoxy)ethyl]-, (2S)-,
AC1OCE8C,
Oxirane, 2-[2-(phenylmethoxy)ethyl]-, (2S)-,
SCHEMBL2186406,
CTK3C7937,
DTXSID90426058,
2beta-[2-(Benzyloxy)ethyl]oxirane,
(s)-2-[2-(benzyloxy)ethyl]oxirane,
ZINC15974673,
(2S)-2-(2-phenylmethoxyethyl)oxirane,
CID6917466,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number