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Home > Indoles and Oxindole > 1786622-63-6
1786622-63-6 | (S)-2-(Piperidin-3-yl)isoindolin-1-one hydrochloride
CAS No: 1786622-63-6 Catalog No: AG01EUEA MDL No:
Product Description
Catalog Number:
AG01EUEA
Chemical Name:
(S)-2-(Piperidin-3-yl)isoindolin-1-one hydrochloride
CAS Number:
1786622-63-6
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
2-[(3S)-piperidin-3-yl]-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c16-13-12-6-2-1-4-10(12)9-15(13)11-5-3-7-14-8-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H/t11-;/m0./s1
InChI Key:
SJBWKGPSJZQXQV-MERQFXBCSA-N
SMILES:
O=C1N(Cc2c1cccc2)[C@H]1CCCNC1.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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