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162334-82-9 | 1(2H)-Isoquinolinone, 3,4-dihydro-2-propyl-
CAS No: 162334-82-9 Catalog No: AG001T1C MDL No:
Product Description
Catalog Number:
AG001T1C
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-2-propyl-
CAS Number:
162334-82-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
2-propyl-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C12H15NO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12(13)14/h3-6H,2,7-9H2,1H3
InChI Key:
JOJFZCBPAOJAMM-UHFFFAOYSA-N
SMILES:
CCCN1CCc2c(C1=O)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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