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940210-86-6 | (E)-4-[4-(Isobutyrylamino)anilino]-4-oxo-2-butenoic acid
CAS No: 940210-86-6 Catalog No: AG01FOC4 MDL No:
Product Description
Catalog Number:
AG01FOC4
Chemical Name:
(E)-4-[4-(Isobutyrylamino)anilino]-4-oxo-2-butenoic acid
CAS Number:
940210-86-6
IUPAC Name:
(E)-4-[4-(2-methylpropanoylamino)anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H16N2O4/c1-9(2)14(20)16-11-5-3-10(4-6-11)15-12(17)7-8-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/b8-7+
InChI Key:
NBAILBXIPAATKE-BQYQJAHWSA-N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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