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89236-78-2 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocyclohexyl)-
CAS No: 89236-78-2 Catalog No: AG0042TO MDL No:
Product Description
Catalog Number:
AG0042TO
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocyclohexyl)-
CAS Number:
89236-78-2
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
1-(2-oxocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C16H19NO2/c18-11-17-10-9-12-5-1-2-6-13(12)16(17)14-7-3-4-8-15(14)19/h1-2,5-6,11,14,16H,3-4,7-10H2
InChI Key:
MUFJGQFKBISWDF-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1C1CCCCC1=O)cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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