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36412-08-5 | (3Z)-1-phenylquinoline-2,3,4(1H)-trione 3-oxime
CAS No: 36412-08-5 Catalog No: AG00JH5T MDL No:MFCD07065507
Product Description
Catalog Number:
AG00JH5T
Chemical Name:
(3Z)-1-phenylquinoline-2,3,4(1H)-trione 3-oxime
CAS Number:
36412-08-5
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
MDL Number:
MFCD07065507
IUPAC Name:
4-hydroxy-3-nitroso-1-phenylquinolin-2-one
InChI:
InChI=1S/C15H10N2O3/c18-14-11-8-4-5-9-12(11)17(15(19)13(14)16-20)10-6-2-1-3-7-10/h1-9,18H
InChI Key:
YLVMFMIISDSSJQ-UHFFFAOYSA-N
SMILES:
O/N=C\1/C(=O)c2ccccc2N(C1=O)c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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