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83696-69-9 | 1(2H)-Isoquinolinone,2-propyl-(9CI)
CAS No: 83696-69-9 Catalog No: AG00GDRP MDL No:
Product Description
Catalog Number:
AG00GDRP
Chemical Name:
1(2H)-Isoquinolinone,2-propyl-(9CI)
CAS Number:
83696-69-9
IUPAC Name:
2-propylisoquinolin-1-one
InChI:
InChI=1S/C12H13NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h3-7,9H,2,8H2,1H3
InChI Key:
KOBSHVKZASGZNX-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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