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89192-59-6 | 3,4-Isoquinolinedione, 2-ethyl-1,2-dihydro-, 4-oxime, (E)-
CAS No: 89192-59-6 Catalog No: AG003VZN MDL No:
Product Description
Catalog Number:
AG003VZN
Chemical Name:
3,4-Isoquinolinedione, 2-ethyl-1,2-dihydro-, 4-oxime, (E)-
CAS Number:
89192-59-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
2-ethyl-4-hydroxyimino-1H-isoquinolin-3-one
InChI:
InChI=1S/C11H12N2O2/c1-2-13-7-8-5-3-4-6-9(8)10(12-15)11(13)14/h3-6,15H,2,7H2,1H3
InChI Key:
XWKWPKCSFLBAPQ-UHFFFAOYSA-N
SMILES:
CCN1Cc2ccccc2/C(=N\O)/C1=O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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