| CAS Number | 600735-58-8 |
| Catalog Number | AG01BHYF(AGN-PC-0SUNOI) |
| Chemical Name | 3-hydroxy-3-(4-methoxyphenyl)butanenitrile |
| IUPAC Name | 3-hydroxy-3-(4-methoxyphenyl)butanenitrile |
| InChI | InChI=1S/C11H13NO2/c1-11(13,7-8-12)9-3-5-10(14-2)6-4-9/h3-6,13H,7H2,1-2H3 |
| InChI Key | YWNKLKNTAAMQFN-UHFFFAOYSA-N |
| MDL Number | MFCD21801130 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COC1=CC=C(C(CC#N)(O)C)C=C1 |
| Synonyms | 3-hydroxy-3-(4-methoxyphenyl)butanenitrile,
600735-58-8,
AKOS017668523,
Z2787270806,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number