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Home > Indoles and Oxindole > 1798883-27-8
1798883-27-8 | 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1798883-27-8 Catalog No: AG01BGSJ MDL No:MFCD28125239
Product Description
Catalog Number:
AG01BGSJ
Chemical Name:
2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1798883-27-8
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
MDL Number:
MFCD28125239
IUPAC Name:
2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H16N2O2/c18-14-12-3-1-2-4-13(12)15(19)17(14)10-7-11-5-8-16-9-6-11/h1-5,16H,6-10H2
InChI Key:
SLRRBTDXLLXOKJ-UHFFFAOYSA-N
SMILES:
O=C1N(CCC2=CCNCC2)C(=O)c2c1cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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