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6797-44-0 | 1-Phenyl-1,2,3-butanetrione 2-oxime, 98+%
CAS No: 6797-44-0 Catalog No: AG003ELJ MDL No:
Product Description
Catalog Number:
AG003ELJ
Chemical Name:
1-Phenyl-1,2,3-butanetrione 2-oxime, 98+%
CAS Number:
6797-44-0
IUPAC Name:
(E)-4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,13H,1H3/b10-9+
InChI Key:
UMQCXGGBHYGWTG-MDZDMXLPSA-N
EC Number:
229-869-6
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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