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78634-18-1 | 3,4-Isoquinolinedione, 1,2-dihydro-1-phenyl-, 4-oxime, (Z)-
CAS No: 78634-18-1 Catalog No: AG005K2O MDL No:
Product Description
Catalog Number:
AG005K2O
Chemical Name:
3,4-Isoquinolinedione, 1,2-dihydro-1-phenyl-, 4-oxime, (Z)-
CAS Number:
78634-18-1
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
4-hydroxyimino-1-phenyl-1,2-dihydroisoquinolin-3-one
InChI:
InChI=1S/C15H12N2O2/c18-15-14(17-19)12-9-5-4-8-11(12)13(16-15)10-6-2-1-3-7-10/h1-9,13,19H,(H,16,18)
InChI Key:
MRIORPJTUUOKKV-UHFFFAOYSA-N
SMILES:
O/N=C/1\C(=O)NC(c2c1cccc2)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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