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940461-45-0 | (E)-4-Oxo-4-[4-(propionylamino)anilino]-2-butenoic acid
CAS No: 940461-45-0 Catalog No: AG01FOCQ MDL No:
Product Description
Catalog Number:
AG01FOCQ
Chemical Name:
(E)-4-Oxo-4-[4-(propionylamino)anilino]-2-butenoic acid
CAS Number:
940461-45-0
IUPAC Name:
4-oxo-4-[4-(propanoylamino)anilino]but-2-enoic acid
InChI:
InChI=1S/C13H14N2O4/c1-2-11(16)14-9-3-5-10(6-4-9)15-12(17)7-8-13(18)19/h3-8H,2H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChI Key:
YNVCXVONGMHDMV-UHFFFAOYSA-N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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