| CAS Number | 938458-95-8 |
| Catalog Number | AG00H16P(AGN-PC-0WB3CY) |
| Chemical Name | 3-(2,5-Dimethoxyphenyl)pyrrolidine |
| IUPAC Name | 3-(2,5-dimethoxyphenyl)pyrrolidine |
| InChI | InChI=1S/C12H17NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-4,7,9,13H,5-6,8H2,1-2H3 |
| InChI Key | CFXGZDPEXFOZFF-UHFFFAOYSA-N |
| MDL Number | MFCD09055265 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | COC1=CC(C2CNCC2)=C(OC)C=C1 |
| Synonyms | 3-(2,5-dimethoxyphenyl)pyrrolidine,
938458-95-8,
PYRROLIDINE, 3-(2,5-DIMETHOXYPHENYL)-,
SCHEMBL7898068,
CTK5H3503,
DTXSID60647990,
ZX-CM003156,
MFCD09055265,
AKOS011344753,
Y-5095,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number