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63937-47-3 | 1,2,3,4-Tetrahydro-2-octanoylisoquinoline
CAS No: 63937-47-3 Catalog No: AG00F6H1 MDL No:
Product Description
Catalog Number:
AG00F6H1
Chemical Name:
1,2,3,4-Tetrahydro-2-octanoylisoquinoline
CAS Number:
63937-47-3
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-one
InChI:
InChI=1S/C17H25NO/c1-2-3-4-5-6-11-17(19)18-13-12-15-9-7-8-10-16(15)14-18/h7-10H,2-6,11-14H2,1H3
InChI Key:
UGWLNAQBMGWTIZ-UHFFFAOYSA-N
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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