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89216-15-9 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocyclopentyl)-
CAS No: 89216-15-9 Catalog No: AG0043QI MDL No:
Product Description
Catalog Number:
AG0043QI
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocyclopentyl)-
CAS Number:
89216-15-9
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
1-(2-oxocyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C15H17NO2/c17-10-16-9-8-11-4-1-2-5-12(11)15(16)13-6-3-7-14(13)18/h1-2,4-5,10,13,15H,3,6-9H2
InChI Key:
FMHFRXQTZRMMMF-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1C1CCCC1=O)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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