| CAS Number | 896938-09-3 |
| Catalog Number | AG01A2R5 |
| Chemical Name | 1-(3,4-dihydro-1H-2-benzopyran-1-carbonyl)pyrrolidine |
| IUPAC Name | 3,4-dihydro-1H-isochromen-1-yl(pyrrolidin-1-yl)methanone |
| InChI | InChI=1S/C14H17NO2/c16-14(15-8-3-4-9-15)13-12-6-2-1-5-11(12)7-10-17-13/h1-2,5-6,13H,3-4,7-10H2 |
| InChI Key | KECQQKZGBMJNNQ-UHFFFAOYSA-N |
| MDL Number | MFCD21415906 |
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.2903 |
| SMILES | O=C(N1CCCC1)C1C2=C(C=CC=C2)CCO1 |
| Synonyms | 1-(3,4-dihydro-1H-2-benzopyran-1-carbonyl)pyrrolidine,
896938-09-3,
AKOS013915949,
NE61256,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.295g/mol |
| Monoisotopic Mass | 231.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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