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Home > Indoles and Oxindole > 1233955-33-3
1233955-33-3 | 2-(Piperidin-4-yl)isoindolin-1-one hydrochloride
CAS No: 1233955-33-3 Catalog No: AG01F9GE MDL No:
Product Description
Catalog Number:
AG01F9GE
Chemical Name:
2-(Piperidin-4-yl)isoindolin-1-one hydrochloride
CAS Number:
1233955-33-3
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
2-piperidin-4-yl-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c16-13-12-4-2-1-3-10(12)9-15(13)11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
InChI Key:
ZBWXHIGRZSSVKD-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1cccc2)C1CCNCC1.Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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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