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168551-61-9 | 1,3(2H,4H)-Isoquinolinedione, 2-hexyl-
CAS No: 168551-61-9 Catalog No: AG001Y5C MDL No:
Product Description
Catalog Number:
AG001Y5C
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-hexyl-
CAS Number:
168551-61-9
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
2-hexyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C15H19NO2/c1-2-3-4-7-10-16-14(17)11-12-8-5-6-9-13(12)15(16)18/h5-6,8-9H,2-4,7,10-11H2,1H3
InChI Key:
LMONSPPCSINGKH-UHFFFAOYSA-N
SMILES:
CCCCCCN1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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