| CAS Number | 1393442-48-2 |
| Catalog Number | AG009X7O(AGN-PC-0WA8S7) |
| Chemical Name | 3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile |
| IUPAC Name | 3-methoxy-4-pyrrolidin-1-ylbenzonitrile |
| InChI | InChI=1S/C12H14N2O/c1-15-12-8-10(9-13)4-5-11(12)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3 |
| InChI Key | XRKHRCVWQIBKPW-UHFFFAOYSA-N |
| MDL Number | MFCD22383664 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | COc1cc(C#N)ccc1N1CCCC1 |
| Synonyms | 3-METHOXY-4-(PYRROLIDIN-1-YL)BENZONITRILE,
1393442-48-2,
KM3580,
ZINC95494782,
AKOS024074590,
V2955,
C12H14N2O,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number