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940227-13-4 | (E)-4-[3-(Butyrylamino)anilino]-4-oxo-2-butenoicacid
CAS No: 940227-13-4 Catalog No: AG01FOBX MDL No:
Product Description
Catalog Number:
AG01FOBX
Chemical Name:
(E)-4-[3-(Butyrylamino)anilino]-4-oxo-2-butenoicacid
CAS Number:
940227-13-4
IUPAC Name:
4-[3-(butanoylamino)anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H16N2O4/c1-2-4-12(17)15-10-5-3-6-11(9-10)16-13(18)7-8-14(19)20/h3,5-9H,2,4H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChI Key:
YFSLIMJARIJVRX-UHFFFAOYSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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