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78634-22-7 | 3,4-Isoquinolinedione, 1,2-dihydro-5-methyl-1-phenyl-, 4-oxime, (E)-
CAS No: 78634-22-7 Catalog No: AG008M87 MDL No:
Product Description
Catalog Number:
AG008M87
Chemical Name:
3,4-Isoquinolinedione, 1,2-dihydro-5-methyl-1-phenyl-, 4-oxime, (E)-
CAS Number:
78634-22-7
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
4-hydroxyimino-5-methyl-1-phenyl-1,2-dihydroisoquinolin-3-one
InChI:
InChI=1S/C16H14N2O2/c1-10-6-5-9-12-13(10)15(18-20)16(19)17-14(12)11-7-3-2-4-8-11/h2-9,14,20H,1H3,(H,17,19)
InChI Key:
XQCKLFOESOMRAR-UHFFFAOYSA-N
SMILES:
O/N=C\1/C(=O)NC(c2c1c(C)ccc2)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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