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Home > Indoles and Oxindole > 310451-86-6
310451-86-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-
CAS No: 310451-86-6 Catalog No: AG0031ZX MDL No:MFCD00614312
Product Description
Catalog Number:
AG0031ZX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-
CAS Number:
310451-86-6
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD00614312
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H16N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2
InChI Key:
OOOHRYLFPGOMKQ-UHFFFAOYSA-N
SMILES:
O=C1N(CC2NCCc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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