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833483-51-5 | 1(2H)-Isoquinolinone, 2-methyl-3-pentyl-
CAS No: 833483-51-5 Catalog No: AG008I38 MDL No:
Product Description
Catalog Number:
AG008I38
Chemical Name:
1(2H)-Isoquinolinone, 2-methyl-3-pentyl-
CAS Number:
833483-51-5
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
2-methyl-3-pentylisoquinolin-1-one
InChI:
InChI=1S/C15H19NO/c1-3-4-5-9-13-11-12-8-6-7-10-14(12)15(17)16(13)2/h6-8,10-11H,3-5,9H2,1-2H3
InChI Key:
KULRARDBRITDFR-UHFFFAOYSA-N
SMILES:
CCCCCc1cc2ccccc2c(=O)n1C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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