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85968-62-3 | N-(2,5-DIMETHOXY-PHENYL)-2-HYDROXYIMINO-3-OXO-BUTYRAMIDE
CAS No: 85968-62-3 Catalog No: AG004QBQ MDL No:
Product Description
Catalog Number:
AG004QBQ
Chemical Name:
N-(2,5-DIMETHOXY-PHENYL)-2-HYDROXYIMINO-3-OXO-BUTYRAMIDE
CAS Number:
85968-62-3
Molecular Formula:
C12H14N2O5
Molecular Weight:
266.2500
IUPAC Name:
(E)-N-(2,5-dimethoxyphenyl)-3-hydroxy-2-nitrosobut-2-enamide
InChI:
InChI=1S/C12H14N2O5/c1-7(15)11(14-17)12(16)13-9-6-8(18-2)4-5-10(9)19-3/h4-6,15H,1-3H3,(H,13,16)/b11-7+
InChI Key:
SWSUVHFHVVJHAA-YRNVUSSQSA-N
SMILES:
ON=C(C(=O)Nc1cc(OC)ccc1OC)C(=O)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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