| CAS Number | 943150-79-6 |
| Catalog Number | AG00II23(AGN-PC-0WOKSM) |
| Chemical Name | 4-(3-Methoxypropoxy)benzonitrile |
| IUPAC Name | 4-(3-methoxypropoxy)benzonitrile |
| InChI | InChI=1S/C11H13NO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-8H2,1H3 |
| InChI Key | BQRPHNCVMFGSBW-UHFFFAOYSA-N |
| MDL Number | MFCD11531994 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COCCCOC1=CC=C(C#N)C=C1 |
| Synonyms | 4-(3-methoxypropoxy)benzonitrile,
943150-79-6,
ZINC34674906,
AKOS009441098,
MCULE-9628772647,
NE43911,
Z441040472,
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| Complexity | 189 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number