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78634-29-4 | Benz[h]isoquinoline-3,4-dione, 1,2-dihydro-1-phenyl-, 4-oxime, (E)-
CAS No: 78634-29-4 Catalog No: AG0058SN MDL No:
Product Description
Catalog Number:
AG0058SN
Chemical Name:
Benz[h]isoquinoline-3,4-dione, 1,2-dihydro-1-phenyl-, 4-oxime, (E)-
CAS Number:
78634-29-4
Molecular Formula:
C19H14N2O2
Molecular Weight:
302.3267
IUPAC Name:
4-hydroxyimino-1-phenyl-1,2-dihydrobenzo[h]isoquinolin-3-one
InChI:
InChI=1S/C19H14N2O2/c22-19-18(21-23)15-11-10-12-6-4-5-9-14(12)16(15)17(20-19)13-7-2-1-3-8-13/h1-11,17,23H,(H,20,22)
InChI Key:
OTEZJZNTXCYQGJ-UHFFFAOYSA-N
SMILES:
O/N=C\1/C(=O)NC(c2c1ccc1c2cccc1)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.333g/mol
Monoisotopic Mass:
302.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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