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940211-58-5 | (E)-4-[3-(Isobutyrylamino)anilino]-4-oxo-2-butenoic acid
CAS No: 940211-58-5 Catalog No: AG01FOBS MDL No:
Product Description
Catalog Number:
AG01FOBS
Chemical Name:
(E)-4-[3-(Isobutyrylamino)anilino]-4-oxo-2-butenoic acid
CAS Number:
940211-58-5
IUPAC Name:
(E)-4-[3-(2-methylpropanoylamino)anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H16N2O4/c1-9(2)14(20)16-11-5-3-4-10(8-11)15-12(17)6-7-13(18)19/h3-9H,1-2H3,(H,15,17)(H,16,20)(H,18,19)/b7-6+
InChI Key:
WZQOWDIGATYPRQ-VOTSOKGWSA-N
Properties
Complexity:
404
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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