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Home > Indoles and Oxindole > 122654-56-2
122654-56-2 | 1H-Isoindol-1-one, 3-butyl-2,3-dihydro-
CAS No: 122654-56-2 Catalog No: AG0017KO MDL No:
Product Description
Catalog Number:
AG0017KO
Chemical Name:
1H-Isoindol-1-one, 3-butyl-2,3-dihydro-
CAS Number:
122654-56-2
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
3-butyl-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C12H15NO/c1-2-3-8-11-9-6-4-5-7-10(9)12(14)13-11/h4-7,11H,2-3,8H2,1H3,(H,13,14)
InChI Key:
GMRHNUZCUUOQOX-UHFFFAOYSA-N
SMILES:
CCCCC1NC(=O)c2c1cccc2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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