| CAS Number | 1864016-40-9 |
| Catalog Number | AG01BDKW |
| Chemical Name | 3-[(benzyloxy)methyl]oxetane-3-carbonitrile |
| IUPAC Name | 3-(phenylmethoxymethyl)oxetane-3-carbonitrile |
| InChI | InChI=1S/C12H13NO2/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11/h1-5H,6,8-10H2 |
| InChI Key | CHVSCDOGMOMFEO-UHFFFAOYSA-N |
| MDL Number | MFCD29041031 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | N#CC1(COC1)COCC1=CC=CC=C1 |
| Synonyms | 3-[(benzyloxy)methyl]oxetane-3-carbonitrile,
1864016-40-9,
ZINC238850648,
FCH4790528,
EN300-177706,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number