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78634-20-5 | 3,4-Isoquinolinedione, 1,2-dihydro-2-methyl-1-phenyl-, 4-oxime, (Z)-
CAS No: 78634-20-5 Catalog No: AG005K2N MDL No:
Product Description
Catalog Number:
AG005K2N
Chemical Name:
3,4-Isoquinolinedione, 1,2-dihydro-2-methyl-1-phenyl-, 4-oxime, (Z)-
CAS Number:
78634-20-5
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
4-hydroxyimino-2-methyl-1-phenyl-1H-isoquinolin-3-one
InChI:
InChI=1S/C16H14N2O2/c1-18-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(17-20)16(18)19/h2-10,15,20H,1H3
InChI Key:
KINBCCIHDDBXOS-UHFFFAOYSA-N
SMILES:
O/N=C/1\C(=O)N(C)C(c2c1cccc2)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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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