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89320-10-5 | 3,4-Isoquinolinedione, 1,2-dihydro-2-methyl-6-phenyl-, 4-oxime, (Z)-
CAS No: 89320-10-5 Catalog No: AG0086Z4 MDL No:
Product Description
Catalog Number:
AG0086Z4
Chemical Name:
3,4-Isoquinolinedione, 1,2-dihydro-2-methyl-6-phenyl-, 4-oxime, (Z)-
CAS Number:
89320-10-5
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
4-hydroxyimino-2-methyl-6-phenyl-1H-isoquinolin-3-one
InChI:
InChI=1S/C16H14N2O2/c1-18-10-13-8-7-12(11-5-3-2-4-6-11)9-14(13)15(17-20)16(18)19/h2-9,20H,10H2,1H3
InChI Key:
LUACKYNIIDWZMN-UHFFFAOYSA-N
SMILES:
O/N=C/1\C(=O)N(C)Cc2c1cc(cc2)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:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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