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904874-86-8 | (E)-4-Oxo-4-[4-(1-pyrrolidinylcarbonyl)anilino]-2-butenoic acid
CAS No: 904874-86-8 Catalog No: AG01FOCH MDL No:
Product Description
Catalog Number:
AG01FOCH
Chemical Name:
(E)-4-Oxo-4-[4-(1-pyrrolidinylcarbonyl)anilino]-2-butenoic acid
CAS Number:
904874-86-8
IUPAC Name:
4-oxo-4-[4-(pyrrolidine-1-carbonyl)anilino]but-2-enoic acid
InChI:
InChI=1S/C15H16N2O4/c18-13(7-8-14(19)20)16-12-5-3-11(4-6-12)15(21)17-9-1-2-10-17/h3-8H,1-2,9-10H2,(H,16,18)(H,19,20)
InChI Key:
IGZFIIDMMGWAHE-UHFFFAOYSA-N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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