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Home > Other Heterocycles > 1047655-65-1
1047655-65-1 | 3,4-dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-4-one hydrochloride
CAS No: 1047655-65-1 Catalog No: AG01B9YH MDL No:MFCD24842729
Product Description
Catalog Number:
AG01B9YH
Chemical Name:
3,4-dihydrospiro[1-benzopyran-2,3'-pyrrolidine]-4-one hydrochloride
CAS Number:
1047655-65-1
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD24842729
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
SMILES:
O=C1CC2(CNCC2)Oc2c1cccc2.Cl
Properties
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
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