| CAS Number | 1047655-65-1 |
| Catalog Number | AG01B9YH(AGN-PC-0WCOJ5) |
| Chemical Name | 3,4-Dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-4-one hydrochloride |
| IUPAC Name | spiro[3H-chromene-2,3'-pyrrolidine]-4-one;hydrochloride |
| InChI | InChI=1S/C12H13NO2.ClH/c14-10-7-12(5-6-13-8-12)15-11-4-2-1-3-9(10)11;/h1-4,13H,5-8H2;1H |
| InChI Key | PNDBGOHCKVJUQZ-UHFFFAOYSA-N |
| MDL Number | MFCD24842729 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | Cl.N1CC2(CC1)OC1=C(C(C2)=O)C=CC=C1 |
| Synonyms | 1047655-65-1,
spiro[chromane-2,3'-pyrrolidin]-4-one hydrochloride,
3,4-dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-4-one hydrochloride,
F9995-2501,
SCHEMBL3231898,
PNDBGOHCKVJUQZ-UHFFFAOYSA-N,
AKOS016397786,
MCULE-2854044835,
Z2311289329,
spiro[chromene-2,3'-pyrrolidin]-4(3H)-one hydrochloride,
C12H14ClNO2,
N/A,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number