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560092-68-4 | Isoquinoline, 1,2,3,4-tetrahydro-2-(1-oxoheptyl)- (9CI)
CAS No: 560092-68-4 Catalog No: AG00DZ89 MDL No:
Product Description
Catalog Number:
AG00DZ89
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(1-oxoheptyl)- (9CI)
CAS Number:
560092-68-4
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)heptan-1-one
InChI:
InChI=1S/C16H23NO/c1-2-3-4-5-10-16(18)17-12-11-14-8-6-7-9-15(14)13-17/h6-9H,2-5,10-13H2,1H3
InChI Key:
OUAKAZWXMQVWNX-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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