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Home > Indoles and Oxindole > 79098-85-4
79098-85-4 | 3-(piperidin-4-yl)indolin-2-one hydrochloride
CAS No: 79098-85-4 Catalog No: AG00G9II MDL No:MFCD16547733
Product Description
Catalog Number:
AG00G9II
Chemical Name:
3-(piperidin-4-yl)indolin-2-one hydrochloride
CAS Number:
79098-85-4
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
MDL Number:
MFCD16547733
IUPAC Name:
3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c16-13-12(9-5-7-14-8-6-9)10-3-1-2-4-11(10)15-13;/h1-4,9,12,14H,5-8H2,(H,15,16);1H
InChI Key:
DEABHZRRJGJLKA-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C1CCNCC1)cccc2.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:
3
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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