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112390-70-2 | 1(2H)-Isoquinolinone, 3-ethyl-3,4-dihydro-2-methyl-3-(1-methylethyl)-
CAS No: 112390-70-2 Catalog No: AG007THQ MDL No:
Product Description
Catalog Number:
AG007THQ
Chemical Name:
1(2H)-Isoquinolinone, 3-ethyl-3,4-dihydro-2-methyl-3-(1-methylethyl)-
CAS Number:
112390-70-2
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
3-ethyl-2-methyl-3-propan-2-yl-4H-isoquinolin-1-one
InChI:
InChI=1S/C15H21NO/c1-5-15(11(2)3)10-12-8-6-7-9-13(12)14(17)16(15)4/h6-9,11H,5,10H2,1-4H3
InChI Key:
IQVZRBRROUSWPO-UHFFFAOYSA-N
SMILES:
CCC1(Cc2ccccc2C(=O)N1C)C(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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