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89216-16-0 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocycloheptyl)-
CAS No: 89216-16-0 Catalog No: AG00460P MDL No:
Product Description
Catalog Number:
AG00460P
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxocycloheptyl)-
CAS Number:
89216-16-0
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
1-(2-oxocycloheptyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C17H21NO2/c19-12-18-11-10-13-6-4-5-7-14(13)17(18)15-8-2-1-3-9-16(15)20/h4-7,12,15,17H,1-3,8-11H2
InChI Key:
LDFRECDSPCOXBW-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1C1CCCCCC1=O)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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