| CAS Number | 887361-09-3 |
| Catalog Number | AG00IFEX(AGN-PC-0WODPR) |
| Chemical Name | 2-(4-Methoxy-3-methylphenyl)pyrrolidine |
| IUPAC Name | 2-(4-methoxy-3-methylphenyl)pyrrolidine |
| InChI | InChI=1S/C12H17NO/c1-9-8-10(5-6-12(9)14-2)11-4-3-7-13-11/h5-6,8,11,13H,3-4,7H2,1-2H3 |
| InChI Key | HTAJFHAIWRDAGU-UHFFFAOYSA-N |
| MDL Number | MFCD05189324 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | COC1=C(C)C=C(C2NCCC2)C=C1 |
| Synonyms | 2-(4-methoxy-3-methylphenyl)pyrrolidine,
887361-09-3,
BBL021353,
MFCD05189324,
STK894065,
AKOS005143823,
MCULE-5733779931,
H8653,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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