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89192-70-1 | 3(2H)-Isoquinolinone, 2-ethyl-1,4-dihydro-6,7-dimethoxy-
CAS No: 89192-70-1 Catalog No: AG004TOH MDL No:
Product Description
Catalog Number:
AG004TOH
Chemical Name:
3(2H)-Isoquinolinone, 2-ethyl-1,4-dihydro-6,7-dimethoxy-
CAS Number:
89192-70-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-ethyl-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C13H17NO3/c1-4-14-8-10-6-12(17-3)11(16-2)5-9(10)7-13(14)15/h5-6H,4,7-8H2,1-3H3
InChI Key:
TXMIMWNUCAYHRI-UHFFFAOYSA-N
SMILES:
CCN1Cc2cc(OC)c(cc2CC1=O)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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