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89192-60-9 | 3,4-Isoquinolinedione, 2-ethyl-1,2-dihydro-6,7-dimethoxy-, 4-oxime, (E)-
CAS No: 89192-60-9 Catalog No: AG004TOI MDL No:
Product Description
Catalog Number:
AG004TOI
Chemical Name:
3,4-Isoquinolinedione, 2-ethyl-1,2-dihydro-6,7-dimethoxy-, 4-oxime, (E)-
CAS Number:
89192-60-9
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
2-ethyl-4-hydroxyimino-6,7-dimethoxy-1H-isoquinolin-3-one
InChI:
InChI=1S/C13H16N2O4/c1-4-15-7-8-5-10(18-2)11(19-3)6-9(8)12(14-17)13(15)16/h5-6,17H,4,7H2,1-3H3
InChI Key:
WIKVTTSRTFZRCT-UHFFFAOYSA-N
SMILES:
CCN1Cc2cc(OC)c(cc2/C(=N\O)/C1=O)OC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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